1-Docosanethiol - ≥97%(GC) , CAS No.7773-83-3

CAS: 7773-83-3 Cat. No.: D140655 분자식: C₂₂H₄₆S 분자량: 342.67 Beilstein Registry Number: 1862177 EC 번호: 679-885-6

등급 & 순도 ≥97%(GC)

Synonyms

NNZMLOHQRXHPOZ-UHFFFAOYSA-N | Docosyl Mercaptan | SCHEMBL272911 | 1-Docosanethiol | D3905 | MFCD02262163 | docosane-1-thiol | NSC97595 | NSC-97595 | AKOS028108624 | DTXSID50294659 | T71330

Storage

Room temperature,Argon charged

Shipped In

Normal

사양

동의어

NNZMLOHQRXHPOZ-UHFFFAOYSA-N | Docosyl Mercaptan | SCHEMBL272911 | 1-Docosanethiol | D3905 | MFCD02262163 | docosane-1-thiol | NSC97595 | NSC-97595 | AKOS028108624 | DTXSID50294659 | T71330

사양 및 순도

≥97%(GC)

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥97%(GC)

이름과 식별자

Pubchem Sid

504758208

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758208

정식 스마일

CCCCCCCCCCCCCCCCCCCCCCS

IUPAC Name

docosane-1-thiol

InChIKey

NNZMLOHQRXHPOZ-UHFFFAOYSA-N

INCHI

1S/C22H46S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3

이성체 SMILES

CCCCCCCCCCCCCCCCCCCCCCS

분자량

342.67

Beilstein

1862177

Reaxy-Rn

1862177

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1862177&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
• 녹는점(°C): 46-50℃
• 분자량: 342.700 g/mol
• XLogP3: 11.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 20
• Exact Mass: 342.332 Da
• Monoisotopic Mass: 342.332 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 190.000
• 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