1,3-dithiol-2-ol

C3H4OS2 — CID 57093939

IUPAC1,3-dithiol-2-ol
SMILESOC1SC=CS1
InChIInChI=1S/C3H4OS2/c4-3-5-1-2-6-3/h1-4H
InChIKeyXQOMRJKOXMXBST-UHFFFAOYSA-N
MW120.20 g/mol
LogP1.21
Rot. Bonds

About 1,3-dithiol-2-ol

1,3-dithiol-2-ol (PubChem CID 57093939) has the molecular formula C3H4OS2 and a molecular weight of 120.20 g/mol. Its IUPAC name is 1,3-dithiol-2-ol.

Molecular Properties

Compound Name1,3-dithiol-2-ol
PubChem CID57093939
Molecular FormulaC3H4OS2
Molecular Weight120.20 g/mol
Exact Mass119.97
IUPAC Name1,3-dithiol-2-ol
SMILESOC1SC=CS1
InChIInChI=1S/C3H4OS2/c4-3-5-1-2-6-3/h1-4H
InChIKeyXQOMRJKOXMXBST-UHFFFAOYSA-N
XLogP1.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dithiol-2-ol?
The IUPAC name of 1,3-dithiol-2-ol (CID 57093939) is 1,3-dithiol-2-ol.
What is the SMILES notation for 1,3-dithiol-2-ol?
The canonical SMILES for 1,3-dithiol-2-ol is OC1SC=CS1.
What is the InChIKey of 1,3-dithiol-2-ol?
The InChIKey is XQOMRJKOXMXBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4OS2/c4-3-5-1-2-6-3/h1-4H.
What are the key properties of 1,3-dithiol-2-ol?
1,3-dithiol-2-ol has a molecular weight of 120.20 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dithiol-2-ol is sourced from PubChem (CID 57093939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).