Cyclohexanethiol - ≥98% , CAS No.1569-69-3

CAS: 1569-69-3 Cat. No.: C107602 분자식: C₆H₁₁SH 분자량: 116.22 Beilstein Registry Number: 1236340 EC 번호: 216-378-7

등급 & 순도 ≥98%

Synonyms

CYCLOHEXANETHIOL | Cyclohexyl thiol | Cyclohexyl mercaptan | Cyclohexylmercaptan

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

사양

동의어

CYCLOHEXANETHIOL | Cyclohexyl thiol | Cyclohexyl mercaptan | Cyclohexylmercaptan

사양 및 순도

≥98%

보관 조건

Room temperature,Argon charged

배송

FedEx DG Service

순수함

≥98%

이름과 식별자

Pubchem Sid

508814723

정식 스마일

C1CCC(CC1)S

IUPAC Name

cyclohexanethiol

InChIKey

CMKBCTPCXZNQKX-UHFFFAOYSA-N

INCHI

1S/C6H12S/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

이성체 SMILES

C1CCC(CC1)S

WGK 독일

3

RTECS

GV7525000

UN 번호

3054

포장 그룹

III

분자량

116.22

Beilstein

1236340

Reaxy-Rn

1236342

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1236342&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 homomonocyclic compounds
• Substituents: Alkylthiol - Hydrocarbon derivative - Aliphatic homomonocyclic 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

• 용해성: Insoluble in water, soluble in chloroform, ether, acetone and benzene
• 감도: Air sensitive.
• 굴절률: 1.49
• 발화점(°F): 105.8 °F
• 발화점(°C): 43°C
• 끓는점(°C): 158-160 °C
• 녹는점(°C): 80.29°C
• 분자량: 116.230 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 116.066 Da
• Monoisotopic Mass: 116.066 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• 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