1,3-dithiol-2-ylmethanol

C4H6OS2 — CID 141274373

IUPAC1,3-dithiol-2-ylmethanol
SMILESOCC1SC=CS1
InChIInChI=1S/C4H6OS2/c5-3-4-6-1-2-7-4/h1-2,4-5H,3H2
InChIKeyFXWAOGCABXWFAL-UHFFFAOYSA-N
MW134.22 g/mol
LogP1.26
Rot. Bonds1

About 1,3-dithiol-2-ylmethanol

1,3-dithiol-2-ylmethanol (PubChem CID 141274373) has the molecular formula C4H6OS2 and a molecular weight of 134.22 g/mol. Its IUPAC name is 1,3-dithiol-2-ylmethanol.

Molecular Properties

Compound Name1,3-dithiol-2-ylmethanol
PubChem CID141274373
Molecular FormulaC4H6OS2
Molecular Weight134.22 g/mol
Exact Mass133.99
IUPAC Name1,3-dithiol-2-ylmethanol
SMILESOCC1SC=CS1
InChIInChI=1S/C4H6OS2/c5-3-4-6-1-2-7-4/h1-2,4-5H,3H2
InChIKeyFXWAOGCABXWFAL-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 2-(ethenylthio)-
CID 520498
1-(2-Hydroxyethylthio)-2-(vinylthio)ethane
CID 528230
Ethanol, 2,2'-[1,2-ethenediylbis(thio)]bis-
CID 87790083
4-(2-Hydroxyethylsulfanyl)-1,3-dithiole-2-thione
CID 90908981
2-[1-(2-Hydroxyethylsulfanyl)ethenylsulfanyl]ethanol
CID 101668185
1,3-Dithiol-2-ol
CID 57093939
2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol
CID 59080451
2-[2-(2-Hydroxyethylsulfanyl)ethenylsulfanyl]ethanol
CID 72510312
4-(2-Hydroxyethylsulfanyl)-1,3-dithiol-2-one
CID 87254304
2-(1,3-Dithiol-2-yl)ethanol
CID 141010646
2-[[2-(1,3-Dithiol-2-ylidene)-1,3-dithiol-4-yl]sulfanyl]ethanol
CID 11778439
2-(1-Ethenylsulfanylethylsulfanyl)ethanol
CID 22211846

Frequently Asked Questions

What is the IUPAC name of 1,3-dithiol-2-ylmethanol?
The IUPAC name of 1,3-dithiol-2-ylmethanol (CID 141274373) is 1,3-dithiol-2-ylmethanol.
What is the SMILES notation for 1,3-dithiol-2-ylmethanol?
The canonical SMILES for 1,3-dithiol-2-ylmethanol is OCC1SC=CS1.
What is the InChIKey of 1,3-dithiol-2-ylmethanol?
The InChIKey is FXWAOGCABXWFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS2/c5-3-4-6-1-2-7-4/h1-2,4-5H,3H2.
What are the key properties of 1,3-dithiol-2-ylmethanol?
1,3-dithiol-2-ylmethanol has a molecular weight of 134.22 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiol-2-ylmethanol is sourced from PubChem (CID 141274373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).