1-phenyl-2-sulfanylethanol

C8H10OS — CID 12048614

IUPAC1-phenyl-2-sulfanylethanol
SMILESOC(CS)c1ccccc1
InChIInChI=1S/C8H10OS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKeyGADYZKYNBSDWMQ-UHFFFAOYSA-N
MW154.23 g/mol
LogP1.65
Rot. Bonds2

About 1-phenyl-2-sulfanylethanol

1-phenyl-2-sulfanylethanol (PubChem CID 12048614) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-phenyl-2-sulfanylethanol.

Molecular Properties

Compound Name1-phenyl-2-sulfanylethanol
PubChem CID12048614
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name1-phenyl-2-sulfanylethanol
SMILESOC(CS)c1ccccc1
InChIInChI=1S/C8H10OS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8-10H,6H2
InChIKeyGADYZKYNBSDWMQ-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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 1-phenyl-2-sulfanylethanol?
The IUPAC name of 1-phenyl-2-sulfanylethanol (CID 12048614) is 1-phenyl-2-sulfanylethanol.
What is the SMILES notation for 1-phenyl-2-sulfanylethanol?
The canonical SMILES for 1-phenyl-2-sulfanylethanol is OC(CS)c1ccccc1.
What is the InChIKey of 1-phenyl-2-sulfanylethanol?
The InChIKey is GADYZKYNBSDWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8-10H,6H2.
What are the key properties of 1-phenyl-2-sulfanylethanol?
1-phenyl-2-sulfanylethanol has a molecular weight of 154.23 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-sulfanylethanol is sourced from PubChem (CID 12048614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).