1-Heptanethiol - ≥98% , CAS No.1639-09-4

CAS: 1639-09-4 Cat. No.: H102322 Summenformel: C7H16S Molekulargewicht: 132.27 Beilstein Registry Number: 1731687 EG-Nummer: 216-678-8
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GRADE & PURITY ≥98%
Synonyms
LS-13385 | Mercaptan C7 | BRN 1731687 | Heptylthiol | n-Heptylmercaptan | FT-0607876 | HEPTANE-1-THIOL [FHFI] | heptanethiol | 380ZE61GR2 | Heptyl thiol | UNII-380ZE61GR2 | 1-heptylthiol | NSC71119 | A810525 | 1-HEPTANETHIOL | FEMA NO. 4259 | USAF EK-2122
Storage
Argon charged,Room temperature
Shipped In
Normal
★
Size
Deutschland (EU)
USA*
Price
Qty
5g
H102322-5g
—
3 Auf Lager
34,62€
10g
H102322-10g
—
1 Auf Lager
61,52€
25g
H102322-25g
Auf Bestellung · 8–12 Wochen
134,41€
100g
H102322-100g
Auf Bestellung · 8–12 Wochen
407,75€
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal 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 5 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme
LS-13385 | Mercaptan C7 | BRN 1731687 | Heptylthiol | n-Heptylmercaptan | FT-0607876 | HEPTANE-1-THIOL [FHFI] | heptanethiol | 380ZE61GR2 | Heptyl thiol | UNII-380ZE61GR2 | 1-heptylthiol | NSC71119 | A810525 | 1-HEPTANETHIOL | FEMA NO. 4259 | USAF EK-2122
Spezifikationen & Reinheit
≥98%
Storage
Argon charged,Room temperature
Verschickt in
Normal
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid508807314
Kanonisches LächelnCCCCCCCS
IUPAC Nameheptane-1-thiol
InChIKeyVPIAKHNXCOTPAY-UHFFFAOYSA-N
INCHI1S/C7H16S/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
Isomere SMILES CCCCCCCS
WGK Deutschland 3
RTECS MJ1400000
UN-Nummer 1228
Verpackungsgruppe II
Molekulargewicht 132.27
Beilstein 1731687
Reaxy-Rn 1731687
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731687&ln=

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
SuperclassOrganosulfur compounds
KlasseThiols
SubclassAlkylthiols
Intermediate Tree Nodes Not available
Direct ParentAlkylthiols
Alternative Parents Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
BeschreibungThis compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
External Descriptors Not available
3D-Struktur
Interaktives chemisches Strukturmodell





Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
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.

10 results found

Lot NumberCertificate TypeDatumArtikel
C2625125Certificate of AnalysisApr 08, 2026 H102322
A2619122Certificate of AnalysisJan 27, 2026 H102322
B2224340Certificate of AnalysisDec 10, 2025 H102322
J1825002Certificate of AnalysisAug 12, 2022 H102322
J1825003Certificate of AnalysisAug 12, 2022 H102322
A2415188Certificate of AnalysisJan 26, 2022 H102322
A2507114Certificate of AnalysisJan 26, 2022 H102322
B2224352Certificate of AnalysisJan 26, 2022 H102322
F2622014Certificate of AnalysisJan 26, 2022 H102322
I2504084Certificate of AnalysisJan 26, 2022 H102322
Chemische und physikalische Eigenschaften
LöslichkeitInsoluble in water, easily soluble in alcohol and ether.
EmpfindlichkeitAir Sensitive
Brechungsindex1.4500-1.4530
Flammpunkt (°F)46 °C
Flammpunkt (°C)46°C
Siedepunkt (°C)173-176°C
Schmelzpunkt (°C)-43°C
Molekulargewicht132.270 g/mol
XLogP33.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass132.097 Da
Monoisotopic Mass132.097 Da
Topological Polar Surface Area1.000 Ų
Heavy Atom Count8
Formal Charge0
Complexity35.400
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
Referenzen
1. Lin Yan, Wang Tuo, Zhang Lili, Zhang Gong, Li Lulu, Chang Qingfeng, Pang Zifan, Gao Hui, Huang Kai, Zhang Peng, Zhao Zhi-Jian, Pei Chunlei, Gong Jinlong.  (2023)  Tunable CO2 electroreduction to ethanol and ethylene with controllable interfacial wettability.  Nature Communications,  14  (1): (1-12).  [PMID:37328481] [10.1038/s41467-023-39351-2]
2. Jianlin Zhuang, Jinmao You, Shijuan Zhang, Zhiwei Sun, Zhongyin Ji, Jiamin Liu, Yanxin Yu.  (2018)  Determination of thiols by gas purge microsyringe extraction coupled with chemical derivatization by high performance liquid chromatography-fluorescence detection with mass spectrometry identification.  JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES,      [PMID:] [10.1080/10826076.2018.1502671]
3. Si Yejia, Sun Zhuo, Zhao Qian, Xie Tao, Wu Jingjun.  (2025)  3D printing of salt-like granular polyacrylamide as sacrificial molds for shaping versatile materials.  Nature Communications,  16  (1): (1-10).  [PMID:40764489] [10.1038/s41467-025-62674-1]
4. Yaxin Song, Chengcheng Zhu, Zhongyan Gong, Xing Kang, Qinghua Liu, Yaning Liu, Miao Ji, Hiroshi Uji-i, Wei Huang, Gang Lu.  (2025)  Improving the Activity of Platinum Nanoparticles in Electrocatalytic Oxidation of Formic Acid via the Surface Grafting of Thiol or Thiophenol Molecules.  ACS Applied Materials & Interfaces,      [PMID:40421574] [10.1021/acsami.5c02916]
5. Chen Wang, Shanshan Li, Manyu Zhu, Shichen Liu, Jiaqi Li, Lie Wu, Xiue Jiang.  (2025)  Structured Water Modulates the Ion Coordination at Biointerface.  LANGMUIR,      [PMID:41247247] [10.1021/acs.langmuir.5c03773]
Lösungsrechner
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