3,5'-Thiodipropionic acid - analytical standard , CAS No.111-17-1

CAS: 111-17-1 Cat. No.: T106636 Molecular Weight: 178.21 Beilstein Registry Number: 1210299 EC Number: 203-841-3 PubChem CID: 8096
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GRADE & PURITY Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods.
Synonyms
DTXCID6024200 | THIODIPROPIONIC ACID [INCI] | .beta.,.beta.'-Thiodipropionic acid | 3-(2-carboxyethylsulfanyl)propanoic acid | Kyselina .beta.,.beta.'-thiodipropionova | NSC 8166 | Q2823309 | 3,3-Thiodipropionicacid | 3,3'-Thiobispropanoic acid | 3,3'-Thi
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
250mg
T106636-250mg
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Why this grade

analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 10 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
DTXCID6024200 | THIODIPROPIONIC ACID [INCI] | .beta., .beta.'-Thiodipropionic acid | 3-(2-carboxyethylsulfanyl)propanoic acid | Kyselina .beta., .beta.'-thiodipropionova | NSC 8166 | Q2823309 | 3, 3-Thiodipropionicacid | 3, 3'-Thiobispropanoic acid | 3, 3'-Thi
Specifications & Purity
analytical standard
Storage
Room temperature
Shipped In
Normal
Grade
Analytical standard
Names and Identifiers
Canonical SmilesC(CSCCC(=O)O)C(=O)O
IUPAC Name3-(2-carboxyethylsulfanyl)propanoic acid
InChIKeyODJQKYXPKWQWNK-UHFFFAOYSA-N
INCHI1S/C6H10O4S/c7-5(8)1-3-11-4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)
Isomeric SMILES C(CSCCC(=O)O)C(=O)O
WGK Germany 2
RTECS UF7990000
PubChem CID 8096
Molecular Weight 178.21
Beilstein 1210299

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassDicarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentDicarboxylic acids and derivatives
Alternative Parents Fatty acids and conjugates  Sulfenyl compounds  Dialkylthioethers  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty acid - Dicarboxylic acid or derivatives - Dialkylthioether - Sulfenyl compound - Thioether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Impa1 Inositol monophosphatase 1 (16203 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Flash Point(°C)128℃
Melt Point(°C)130-133°C
Molecular Weight178.210 g/mol
XLogP3-0.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass178.03 Da
Monoisotopic Mass178.03 Da
Topological Polar Surface Area99.900 Ų
Heavy Atom Count11
Formal Charge0
Complexity130.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Feng Qing, Yang Jing, Dou Mingyuan, Zou Shuai, Wei Lixia, Huang Fuchuan.  (2023)  Modified Ti3C2TX MXene/GO Nanohybrids: An Efficient Lubricating Additive for Tribological Applications.  ARABIAN JOURNAL FOR SCIENCE AND ENGINEERING,      [PMID:] [10.1007/s13369-023-08303-9]
2. Hui Fu, Kai Wang, Hao Wu, Chris R. Bowen, Zhi Fang, Zebin Yan, Shuheng Jiang, Deliu Ou, Yang Yang, Jinju Zheng, Weiyou Yang.  (2023)  Enhanced Hygrothermal Stability of In-Situ-Grown MAPbBr3 Nanocrystals in Polymer with Suppressed Desorption of Ligands.  INORGANIC CHEMISTRY,      [PMID:37545093] [10.1021/acs.inorgchem.3c01834]
3. Sun Xin, Cheng Zhengzai, Djouonkep Lesly Dasilva Wandji, Lan Chupeng, Jia Ruyan, Zeng Sheng, Cheng Junpeng, Tang Ran, Li Yi, Yuan Beibei, Gauthier Mario.  (2023)  Synthesis and Characterization of Novel Hydrolytically Degradable Polyesters.  JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION,  38  (2): (467-473).  [PMID:] [10.1007/s11595-023-2720-6]
4. Hui Wang, Weili Wang, Qianqian Xie, Di Wu, Jiayu Cao, Huilin Chen, Meng Gao, Huizhen Zheng, Xi Liu, Jie Jiang, Wenjie Li, Xiaoming Cai, Sergey V. Gudkov, Ruibin Li.  (2023)  Using Chicken Embryos to Identify the Key Determinants of Nanoparticles for the Crossing of Air–Blood Barriers.  ANALYTICAL CHEMISTRY,      [PMID:37005435] [10.1021/acs.analchem.3c00034]
5. Qing Feng, Fukang Deng, Kangchun Li, Mingyuan Dou, Shuai Zou, Fuchuan Huang.  (2021)  Enhancing the tribological performance of Ti3C2 MXene modified with tetradecylphosphonic acid.  COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,      [PMID:] [10.1016/j.colsurfa.2021.126903]
6. Yinxian Yang, Bingjun Sun, Shiyi Zuo, Ximu Li, Shuang Zhou, Lingxiao Li, Cong Luo, Hongzhuo Liu, Maosheng Cheng, Yongjun Wang, Shujun Wang, Zhonggui He, Jin Sun.  (2020)  Trisulfide bond–mediated doxorubicin dimeric prodrug nanoassemblies with high drug loading, high self-assembly stability, and high tumor selectivity.  Science Advances,  (45):   [PMID:33148644] [10.1126/sciadv.abc1725]
7. Wei Wei, Cong Luo, Jincheng Yang, Bingjun Sun, Dongyang Zhao, Yan Liu, Yingli Wang, Wenqian Yang, Qiming Kan, Jin Sun, Zhonggui He.  (2018)  Precisely albumin-hitchhiking tumor cell-activated reduction/oxidation-responsive docetaxel prodrugs for the hyperselective treatment of breast cancer.  JOURNAL OF CONTROLLED RELEASE,      [PMID:30017721] [10.1016/j.jconrel.2018.07.010]
8. Tang Shilin, He Chuansheng, Li Dong, Cai Wenhao, Fan Louzhen, Li Yunchao.  (2018)  Precursor reactivity differentiation for single-step preparation of Ag2Se@Ag2S core–shell nanocrystals with distinct absorption and emission properties enabling sensitive near-infrared photodetection.  JOURNAL OF MATERIALS SCIENCE,  53  (16): (11355-11366).  [PMID:] [10.1007/s10853-018-2465-3]
9. Lei Chen, Jiabao Liu, Chunxiang Gui, Ke mei, Xiaoshuang Dai, Yang Song, Daobing Jiang, Lian Deng, Junda Liu, Neng Qiu.  (2025)  Self-assembled ROS -responsive podollyllotoxin twin drug nanoparticles for enhanced anticancer therapy.  JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.jddst.2025.106650]
10. Defan Zeng, Wenfeng Peng, Yupan Li, Fuquan Zhang, Xiaoxue Liao, Lusheng Liao.  (2025)  Effect of High-Efficiency Antioxidant on Storage Stability of Constant-Viscosity Natural Rubber.  POLYMER ENGINEERING AND SCIENCE,      [PMID:] [10.1002/pen.70220]
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