3-sulfanyl-2-(sulfanylmethyl)propan-1-ol

C4H10OS2 — CID 87063810

IUPAC3-sulfanyl-2-(sulfanylmethyl)propan-1-ol
SMILESOCC(CS)CS
InChIInChI=1S/C4H10OS2/c5-1-4(2-6)3-7/h4-7H,1-3H2
InChIKeyUNFIHDMVKJMFET-UHFFFAOYSA-N
MW138.26 g/mol
LogP0.45
Rot. Bonds3

About 3-sulfanyl-2-(sulfanylmethyl)propan-1-ol

3-sulfanyl-2-(sulfanylmethyl)propan-1-ol (PubChem CID 87063810) has the molecular formula C4H10OS2 and a molecular weight of 138.26 g/mol. Its IUPAC name is 3-sulfanyl-2-(sulfanylmethyl)propan-1-ol.

Molecular Properties

Compound Name3-sulfanyl-2-(sulfanylmethyl)propan-1-ol
PubChem CID87063810
Molecular FormulaC4H10OS2
Molecular Weight138.26 g/mol
Exact Mass138.02
IUPAC Name3-sulfanyl-2-(sulfanylmethyl)propan-1-ol
SMILESOCC(CS)CS
InChIInChI=1S/C4H10OS2/c5-1-4(2-6)3-7/h4-7H,1-3H2
InChIKeyUNFIHDMVKJMFET-UHFFFAOYSA-N
XLogP0.45
TPSA20.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.26
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-sulfanyl-2-(sulfanylmethyl)propan-1-ol?
The IUPAC name of 3-sulfanyl-2-(sulfanylmethyl)propan-1-ol (CID 87063810) is 3-sulfanyl-2-(sulfanylmethyl)propan-1-ol.
What is the SMILES notation for 3-sulfanyl-2-(sulfanylmethyl)propan-1-ol?
The canonical SMILES for 3-sulfanyl-2-(sulfanylmethyl)propan-1-ol is OCC(CS)CS.
What is the InChIKey of 3-sulfanyl-2-(sulfanylmethyl)propan-1-ol?
The InChIKey is UNFIHDMVKJMFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS2/c5-1-4(2-6)3-7/h4-7H,1-3H2.
What are the key properties of 3-sulfanyl-2-(sulfanylmethyl)propan-1-ol?
3-sulfanyl-2-(sulfanylmethyl)propan-1-ol has a molecular weight of 138.26 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanyl-2-(sulfanylmethyl)propan-1-ol is sourced from PubChem (CID 87063810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).