1-Eicosanethiol - ≥95%(GC) , CAS No.13373-97-2

CAS: 13373-97-2 Cat. No.: E156181 분자식: C₂₀H₄₂S 분자량: 314.62 EC 번호: 603-761-2

GRADE & PURITY ≥95%(GC)

Synonyms

2-METHOXYCARBONYLAMINO-3H-BENZOIMIDAZOLE-5-CARBOXYLICACID | eicosanethiol | 1-icosanethiol | MFCD07779406 | 1-Eicosanethiol | ECT | AKOS025396826 | DTXSID70158345 | Icosyl Mercaptan | E0832 | Eicosyl Mercaptan | icosane-1-thiol | T71724 | SCHEMBL271560

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

2-METHOXYCARBONYLAMINO-3H-BENZOIMIDAZOLE-5-CARBOXYLICACID | eicosanethiol | 1-icosanethiol | MFCD07779406 | 1-Eicosanethiol | ECT | AKOS025396826 | DTXSID70158345 | Icosyl Mercaptan | E0832 | Eicosyl Mercaptan | icosane-1-thiol | T71724 | SCHEMBL271560

사양 및 순도

≥95%(GC)

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥95%(GC)

이름과 식별자

• Pubchem Sid: 528754350
• 정식 스마일: CCCCCCCCCCCCCCCCCCCCS
• IUPAC Name: icosane-1-thiol
• InChIKey: YYHYWOPDNMFEAV-UHFFFAOYSA-N
• INCHI: 1S/C20H42S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3
• 이성체 SMILES: CCCCCCCCCCCCCCCCCCCCS
• 분자량: 314.62
• Reaxy-Rn: 1763630
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1763630&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 감도: Air sensitive
• 끓는점(°C): 389°C(lit.)
• 녹는점(°C): 40 °C
• 분자량: 314.600 g/mol
• XLogP3: 10.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 18
• Exact Mass: 314.301 Da
• Monoisotopic Mass: 314.301 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 167.000
• 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