(4-sulfanylphenyl)methanol

C7H8OS — CID 4677905

IUPAC(4-sulfanylphenyl)methanol
SMILESOCc1ccc(S)cc1
InChIInChI=1S/C7H8OS/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
InChIKeyXBKHQENGCLDART-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.47
Rot. Bonds1

About (4-sulfanylphenyl)methanol

(4-sulfanylphenyl)methanol (PubChem CID 4677905) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is (4-sulfanylphenyl)methanol.

Molecular Properties

Compound Name(4-sulfanylphenyl)methanol
PubChem CID4677905
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name(4-sulfanylphenyl)methanol
SMILESOCc1ccc(S)cc1
InChIInChI=1S/C7H8OS/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
InChIKeyXBKHQENGCLDART-UHFFFAOYSA-N
XLogP1.47
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (4-sulfanylphenyl)methanol?
The IUPAC name of (4-sulfanylphenyl)methanol (CID 4677905) is (4-sulfanylphenyl)methanol.
What is the SMILES notation for (4-sulfanylphenyl)methanol?
The canonical SMILES for (4-sulfanylphenyl)methanol is OCc1ccc(S)cc1.
What is the InChIKey of (4-sulfanylphenyl)methanol?
The InChIKey is XBKHQENGCLDART-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2.
What are the key properties of (4-sulfanylphenyl)methanol?
(4-sulfanylphenyl)methanol has a molecular weight of 140.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-sulfanylphenyl)methanol is sourced from PubChem (CID 4677905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).