phenylsulfanylmethanol

C7H8OS — CID 11194383

IUPACphenylsulfanylmethanol
SMILESOCSc1ccccc1
InChIInChI=1S/C7H8OS/c8-6-9-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyUKLQUFQGBTZEMZ-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.73
Rot. Bonds2

About phenylsulfanylmethanol

phenylsulfanylmethanol (PubChem CID 11194383) has the molecular formula C7H8OS and a molecular weight of 140.21 g/mol. Its IUPAC name is phenylsulfanylmethanol.

Molecular Properties

Compound Namephenylsulfanylmethanol
PubChem CID11194383
Molecular FormulaC7H8OS
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Namephenylsulfanylmethanol
SMILESOCSc1ccccc1
InChIInChI=1S/C7H8OS/c8-6-9-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyUKLQUFQGBTZEMZ-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze phenylsulfanylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenylsulfanylmethanol?
The IUPAC name of phenylsulfanylmethanol (CID 11194383) is phenylsulfanylmethanol.
What is the SMILES notation for phenylsulfanylmethanol?
The canonical SMILES for phenylsulfanylmethanol is OCSc1ccccc1.
What is the InChIKey of phenylsulfanylmethanol?
The InChIKey is UKLQUFQGBTZEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS/c8-6-9-7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of phenylsulfanylmethanol?
phenylsulfanylmethanol has a molecular weight of 140.21 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenylsulfanylmethanol is sourced from PubChem (CID 11194383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).