1-Decanethiol - ≥99% , CAS No.143-10-2

CAS: 143-10-2 Cat. No.: D474532 Formula: C₁₀H₂₂S Molecular Weight: 174.35 Beilstein Registry Number: 1735223 EC Number: 205-584-2

GRADE & PURITY ≥99%

Synonyms

tert-Decyl mercaptan | DB07611 | decanethiol | EINECS 250-081-3 | 1-Mercaptodecane | N-decatyl mercaptan | Decanethiol-(1) | 1-DECANETHIOL | 1-Decanethiol, 96% | LS-13918 | n-decanethiol | UNII-A2H8YRB236 | D94658 | 1-Decanethiol, 99% | A2H8YRB236 | AKOS0

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

tert-Decyl mercaptan | DB07611 | decanethiol | EINECS 250-081-3 | 1-Mercaptodecane | N-decatyl mercaptan | Decanethiol-(1) | 1-DECANETHIOL | 1-Decanethiol, 96% | LS-13918 | n-decanethiol | UNII-A2H8YRB236 | D94658 | 1-Decanethiol, 99% | A2H8YRB236 | AKOS0

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

Canonical Smiles

CCCCCCCCCCS

IUPAC Name

decane-1-thiol

InChIKey

VTXVGVNLYGSIAR-UHFFFAOYSA-N

INCHI

1S/C10H22S/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3

Isomeric SMILES

CCCCCCCCCCS

WGK Germany

3

UN Number

1228

Packing Group

II

Molecular Weight

174.35

Beilstein

1735223

Reaxy-Rn

1735223

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735223&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thiols
      • Subclass Alkylthiols

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thiols
• Subclass: Alkylthiols
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkylthiols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Refractive Index: 1.457
• Flash Point(°F): 208.4℉
• Flash Point(°C): 98°
• Boil Point(°C): 114°C
• Melt Point(°C): -26°C
• Molecular Weight: 174.350 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 8
• Exact Mass: 174.144 Da
• Monoisotopic Mass: 174.144 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 61.900
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1