Bis(2-hydroxyethyl) Disulfide - ca. 50% in Water , CAS No.1892-29-1

CAS: 1892-29-1 Cat. No.: B298701 분자식: C₄H₁₀O₂S₂ 분자량: 154.24 Beilstein Registry Number: 1471 EC 번호: 217-576-6

등급 & 순도 ca. 50% in Water

Synonyms

Tox21_302181 | 2,2'-Disulfanediylbis(ethan-1-ol) | MFCD00002906 | NSC33920 | NSC-33920 | USAF TH-9 | J-012208 | DTXSID4044404 | E82252 | 2,2'-Dithiodiethanol | 2,2-dithiodiethanol | 2-hydroxy ethyldisulfide | Hydroxyethyl disulfide | InChI=1/C4H10O2S2/c5-

Storage

Room temperature

Shipped In

Normal

사양

동의어

Tox21_302181 | 2,2'-Disulfanediylbis(ethan-1-ol) | MFCD00002906 | NSC33920 | NSC-33920 | USAF TH-9 | J-012208 | DTXSID4044404 | E82252 | 2,2'-Dithiodiethanol | 2,2-dithiodiethanol | 2-hydroxy ethyldisulfide | Hydroxyethyl disulfide | InChI=1/C4H10O2S2/c5-

사양 및 순도

ca. 50% in Water

보관 조건

Room temperature

배송

Normal

이름과 식별자

Pubchem Sid

508812677

정식 스마일

C(CSSCCO)O

IUPAC Name

2-(2-hydroxyethyldisulfanyl)ethanol

InChIKey

KYNFOMQIXZUKRK-UHFFFAOYSA-N

INCHI

1S/C4H10O2S2/c5-1-3-7-8-4-2-6/h5-6H,1-4H2

이성체 SMILES

C(CSSCCO)O

RTECS

KK7525000

분자량

154.24

Beilstein

1471

Reaxy-Rn

1735851

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1735851&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • 분류 Organic disulfides
      • Subclass Dialkyldisulfides

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 분류: Organic disulfides
• Subclass: Dialkyldisulfides
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyldisulfides
• Alternative Parents: Sulfenyl compounds Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dialkyldisulfide - Sulfenyl compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as dialkyldisulfides. These are organic compounds containing a disulfide group R-SS-R' where R and R' are both alkyl groups.
• External Descriptors: a small molecule

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

• 굴절률: 1.57
• 발화점(°F): 233.6 °F
• 발화점(°C): >110 ℃
• 끓는점(°C): 158-163℃
• 녹는점(°C): 25℃
• 분자량: 154.300 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 154.012 Da
• Monoisotopic Mass: 154.012 Da
• Topological Polar Surface Area: 91.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 37.000
• 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