Thiobenzoic Acid - ≥93%(T) , CAS No.98-91-9

CAS: 98-91-9 Cat. No.: T161810 Peso molecular: 138.18 Beilstein Registry Number: 2039640 Número EC: 202-712-9 PubChem CID: 7414
Disponible para pedir
GRADE & PURITY ≥93%(T)
Synonyms
benzenecarbothioc acid | EINECS 202-712-9 | Benzenecarbothioic S-acid | Benzoyl thiol | Q27279013 | D78412 | Benzenecarbothioic acid | monothiolbenzoic acid | BDBM50366037 | Thiobenzoicacid | NSC66502 | NSC-66502 | SCHEMBL37017 | Thiobenzoesaure | CCRIS 8
Storage
Store at 2-8°C,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5g
T161810-5g
4
10,90US$
25g
T161810-25g
2
20,90US$
100g
T161810-100g
1
55,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥93%(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

Product Application:

Thiobenzoic acid is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

Specifications

Sinónimos
benzenecarbothioc acid | EINECS 202-712-9 | Benzenecarbothioic S-acid | Benzoyl thiol | Q27279013 | D78412 | Benzenecarbothioic acid | monothiolbenzoic acid | BDBM50366037 | Thiobenzoicacid | NSC66502 | NSC-66502 | SCHEMBL37017 | Thiobenzoesaure | CCRIS 8
Especificaciones y pureza
≥93%(T)
Condiciones de almacenamiento de almacenamiento
Store at 2-8°C, Argon charged
Enviado en
Wet ice
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥93%(T)
Nombres e identificadores
Pubchem Sid488180416
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180416
Sonrisas canónicasC1=CC=C(C=C1)C(=O)S
IUPAC Namebenzenecarbothioic S-acid
InChIKeyUIJGNTRUPZPVNG-UHFFFAOYSA-N
INCHI1S/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
Isómeros SMILES C1=CC=C(C=C1)C(=O)S
WGK Alemania 3
RTECS DH6839000
PubChem CID 7414
Peso molecular 138.18
Beilstein 2039640
Reaxy-Rn 1071790

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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic acids and derivatives
Alternative Parents Thiobenzoic acids and derivatives  Benzoyl derivatives  Carbothioic S-acids  Carbodithioic acids  Thiocarboxylic acids and derivatives  Carboxylic acids and derivatives  Alkylthiols  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Thiobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Carbothioic s-acid - Carbodithioic acid - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Alkylthiol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
DescripciónThis compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA3 Tclin Carbonic anhydrase III (753 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA6 Tclin Carbonic anhydrase VI (993 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA5B Tclin Carbonic anhydrase VB (957 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA5A Tclin Carbonic anhydrase VA (1168 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA14 Tclin Carbonic anhydrase XIV (1305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA12 Tclin Carbonic anhydrase XII (6231 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Ca7 Carbonic anhydrase VII (3 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ca13 Carbonic anhydrase XIII (322 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA4 Carbonic anhydrase IV (1713 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

19 results found

Lot NumberCertificate TypeFechaArticulo
D2617040Certificate of AnalysisApr 24, 2026 T161810
K2418446Certificate of AnalysisNov 08, 2024 T161810
K2418448Certificate of AnalysisNov 08, 2024 T161810
K2418447Certificate of AnalysisNov 08, 2024 T161810
K2418445Certificate of AnalysisNov 08, 2024 T161810
I2306776Certificate of AnalysisAug 18, 2023 T161810
I2306777Certificate of AnalysisAug 18, 2023 T161810
B2419176Certificate of AnalysisAug 18, 2023 T161810
G2321310Certificate of AnalysisMay 24, 2023 T161810
G2321320Certificate of AnalysisMay 24, 2023 T161810
G2321325Certificate of AnalysisMay 24, 2023 T161810
G2321340Certificate of AnalysisMay 24, 2023 T161810
G2321371Certificate of AnalysisMay 24, 2023 T161810
G2227211Certificate of AnalysisJul 04, 2022 T161810
G2227214Certificate of AnalysisJul 04, 2022 T161810
E2305062Certificate of AnalysisJul 04, 2022 T161810
F2217237Certificate of AnalysisJun 21, 2022 T161810
E2231306Certificate of AnalysisMar 23, 2022 T161810
E2231284Certificate of AnalysisMar 23, 2022 T161810

Show more ⌵

Propiedades químicas y físicas
SolubilidadInsoluble in water,soluble in ethanol and ether.
SensibilidadAir & Heat Sensitive
Índice de refracción1.60
Punto de inflamación (°C)94 °C
Punto de ebullición (°C)87 °C/10 mmHg
Punto de fusión (°C)20 °C
Peso molecular138.190 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass138.014 Da
Monoisotopic Mass138.014 Da
Topological Polar Surface Area18.100 Ų
Heavy Atom Count9
Formal Charge0
Complexity105.000
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
Referencias
1. Lianghua Jiang, Yubin Wu, Zonghan Xu, Mingzhuang Hou, Shayang Chen, Chao Cheng, Dan Hu, Daming Lu, Xuesong Zhu, Chong Li.  (2024)  Harnessing hydrogen sulfide in injectable hydrogels that guide the immune response and osteoclastogenesis balance for osteoporosis treatment.  Materials Today Bio,      [PMID:39649246] [10.1016/j.mtbio.2024.101338]
2. Liyang Gong, Le Chang, Siyu Chen, Xuan Wei, Huiping Du, Jiamin Cheng, Xiaoxuan Chen, Zhang Yuan, Pan Zhao, Meijuan Geng, Hui Yang, Kaiyong Cai, Liangliang Dai.  (2025)  Multifunctional injectable hydrogel with self-supplied H2S release and bacterial inhibition for the wound healing with enhanced macrophages polarization via interfering with PI3K/Akt pathway.  BIOMATERIALS,      [PMID:39892016] [10.1016/j.biomaterials.2025.123144]
Calculadoras de soluciones
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