[4-(sulfanylmethyl)phenyl]methanol

C8H10OS — CID 83526343

IUPAC[4-(sulfanylmethyl)phenyl]methanol
SMILESOCc1ccc(CS)cc1
InChIInChI=1S/C8H10OS/c9-5-7-1-3-8(6-10)4-2-7/h1-4,9-10H,5-6H2
InChIKeyRFIXUECLJWBFMW-UHFFFAOYSA-N
MW154.23 g/mol
LogP1.61
Rot. Bonds2

About [4-(sulfanylmethyl)phenyl]methanol

[4-(sulfanylmethyl)phenyl]methanol (PubChem CID 83526343) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is [4-(sulfanylmethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(sulfanylmethyl)phenyl]methanol
PubChem CID83526343
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name[4-(sulfanylmethyl)phenyl]methanol
SMILESOCc1ccc(CS)cc1
InChIInChI=1S/C8H10OS/c9-5-7-1-3-8(6-10)4-2-7/h1-4,9-10H,5-6H2
InChIKeyRFIXUECLJWBFMW-UHFFFAOYSA-N
XLogP1.61
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.61
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-(sulfanylmethyl)phenyl]methanol?
The IUPAC name of [4-(sulfanylmethyl)phenyl]methanol (CID 83526343) is [4-(sulfanylmethyl)phenyl]methanol.
What is the SMILES notation for [4-(sulfanylmethyl)phenyl]methanol?
The canonical SMILES for [4-(sulfanylmethyl)phenyl]methanol is OCc1ccc(CS)cc1.
What is the InChIKey of [4-(sulfanylmethyl)phenyl]methanol?
The InChIKey is RFIXUECLJWBFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c9-5-7-1-3-8(6-10)4-2-7/h1-4,9-10H,5-6H2.
What are the key properties of [4-(sulfanylmethyl)phenyl]methanol?
[4-(sulfanylmethyl)phenyl]methanol has a molecular weight of 154.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(sulfanylmethyl)phenyl]methanol is sourced from PubChem (CID 83526343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).