2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol

C6H12O2S2 — CID 154069585

IUPAC2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol
SMILESOC=CSCCSCCO
InChIInChI=1S/C6H12O2S2/c7-1-3-9-5-6-10-4-2-8/h1,3,7-8H,2,4-6H2
InChIKeySMGVUYHFSFOWNS-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.47
Rot. Bonds6

About 2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol

2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol (PubChem CID 154069585) has the molecular formula C6H12O2S2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol
PubChem CID154069585
Molecular FormulaC6H12O2S2
Molecular Weight180.29 g/mol
Exact Mass180.03
IUPAC Name2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol
SMILESOC=CSCCSCCO
InChIInChI=1S/C6H12O2S2/c7-1-3-9-5-6-10-4-2-8/h1,3,7-8H,2,4-6H2
InChIKeySMGVUYHFSFOWNS-UHFFFAOYSA-N
XLogP1.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Thiodiglycol
CID 5447
Dithiaoctanediol
CID 78904
Ethanol, 2-(ethenylthio)-
CID 520498
2-(2-Hydroxy(1,2-13C2)ethylsulfanyl)(1,2-13C2)ethanol
CID 12415665
(Vinylthio)ethanol
CID 3014169
1-(2-Hydroxyethylthio)-2-(2-vinylthioethoxy)ethane
CID 528229
1-(2-Hydroxyethylthio)-2-(vinylthio)ethane
CID 528230
Ethanol, 2,2'-[1,2-ethenediylbis(thio)]bis-
CID 87790083
2-Hydroxyethylthioethyl vinyl ether
CID 524281
1,2-Bis(2-hydroxyethylthio)ethane-d4
CID 170838287
2,2'-(Prop-2-ene-1,2-diylbis(sulfanediyl))bis(ethan-1-ol)
CID 177923933
2-[1-(2-Hydroxyethylsulfanyl)ethenylsulfanyl]ethanol
CID 101668185

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol?
The IUPAC name of 2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol (CID 154069585) is 2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol.
What is the SMILES notation for 2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol?
The canonical SMILES for 2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol is OC=CSCCSCCO.
What is the InChIKey of 2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol?
The InChIKey is SMGVUYHFSFOWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S2/c7-1-3-9-5-6-10-4-2-8/h1,3,7-8H,2,4-6H2.
What are the key properties of 2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol?
2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol has a molecular weight of 180.29 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethenylsulfanyl)ethylsulfanyl]ethanol is sourced from PubChem (CID 154069585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).