(2R)-1-phenylsulfanylbutan-2-ol

C10H14OS — CID 22216311

IUPAC(2R)-1-phenylsulfanylbutan-2-ol
SMILESCC[C@@H](O)CSc1ccccc1
InChIInChI=1S/C10H14OS/c1-2-9(11)8-12-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3/t9-/m1/s1
InChIKeyKGDLDWVKFUCUME-SECBINFHSA-N
MW182.29 g/mol
LogP2.55
Rot. Bonds4

About (2R)-1-phenylsulfanylbutan-2-ol

(2R)-1-phenylsulfanylbutan-2-ol (PubChem CID 22216311) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is (2R)-1-phenylsulfanylbutan-2-ol.

Molecular Properties

Compound Name(2R)-1-phenylsulfanylbutan-2-ol
PubChem CID22216311
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name(2R)-1-phenylsulfanylbutan-2-ol
SMILESCC[C@@H](O)CSc1ccccc1
InChIInChI=1S/C10H14OS/c1-2-9(11)8-12-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3/t9-/m1/s1
InChIKeyKGDLDWVKFUCUME-SECBINFHSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-1-phenylsulfanylbutan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-(Phenylthio)ethanol
CID 69685
1-(Phenylthio)-2-propanol
CID 99788
1-Amino-2-phenylthio-2-propanol
CID 113732
3-(Phenylthio)-1,2-propanediol
CID 21231
2-(Phenylsulfonyl)ethanol
CID 30202
3-Phenylthiopropan-2-one
CID 247129
2-((Phenylsulfanyl)methyl)oxirane
CID 11094998
((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
3-(Phenylsulfanyl)propan-1-ol
CID 5155841
4-Fluorophenyl 2-oxiranylmethyl sulfide
CID 588223
2-(4-Fluoro-phenylsulfanyl)-ethanol
CID 2759148
2-(Phenylsulfanyl)cyclohexanol
CID 278135

Frequently Asked Questions

What is the IUPAC name of (2R)-1-phenylsulfanylbutan-2-ol?
The IUPAC name of (2R)-1-phenylsulfanylbutan-2-ol (CID 22216311) is (2R)-1-phenylsulfanylbutan-2-ol.
What is the SMILES notation for (2R)-1-phenylsulfanylbutan-2-ol?
The canonical SMILES for (2R)-1-phenylsulfanylbutan-2-ol is CC[C@@H](O)CSc1ccccc1.
What is the InChIKey of (2R)-1-phenylsulfanylbutan-2-ol?
The InChIKey is KGDLDWVKFUCUME-SECBINFHSA-N. The full InChI is InChI=1S/C10H14OS/c1-2-9(11)8-12-10-6-4-3-5-7-10/h3-7,9,11H,2,8H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-phenylsulfanylbutan-2-ol?
(2R)-1-phenylsulfanylbutan-2-ol has a molecular weight of 182.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-phenylsulfanylbutan-2-ol is sourced from PubChem (CID 22216311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).