[2-(methyldisulfanyl)phenyl]methanol

C8H10OS2 — CID 25001885

IUPAC[2-(methyldisulfanyl)phenyl]methanol
SMILESCSSc1ccccc1CO
InChIInChI=1S/C8H10OS2/c1-10-11-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
InChIKeyWVIKQGBCJGSNPT-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.55
Rot. Bonds3

About [2-(methyldisulfanyl)phenyl]methanol

[2-(methyldisulfanyl)phenyl]methanol (PubChem CID 25001885) has the molecular formula C8H10OS2 and a molecular weight of 186.30 g/mol. Its IUPAC name is [2-(methyldisulfanyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(methyldisulfanyl)phenyl]methanol
PubChem CID25001885
Molecular FormulaC8H10OS2
Molecular Weight186.30 g/mol
Exact Mass186.02
IUPAC Name[2-(methyldisulfanyl)phenyl]methanol
SMILESCSSc1ccccc1CO
InChIInChI=1S/C8H10OS2/c1-10-11-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
InChIKeyWVIKQGBCJGSNPT-UHFFFAOYSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(methyldisulfanyl)phenyl]methanol?
The IUPAC name of [2-(methyldisulfanyl)phenyl]methanol (CID 25001885) is [2-(methyldisulfanyl)phenyl]methanol.
What is the SMILES notation for [2-(methyldisulfanyl)phenyl]methanol?
The canonical SMILES for [2-(methyldisulfanyl)phenyl]methanol is CSSc1ccccc1CO.
What is the InChIKey of [2-(methyldisulfanyl)phenyl]methanol?
The InChIKey is WVIKQGBCJGSNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS2/c1-10-11-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3.
What are the key properties of [2-(methyldisulfanyl)phenyl]methanol?
[2-(methyldisulfanyl)phenyl]methanol has a molecular weight of 186.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methyldisulfanyl)phenyl]methanol is sourced from PubChem (CID 25001885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).