(2S)-1-phenylsulfanylpropan-2-ol

C9H12OS — CID 10855897

IUPAC(2S)-1-phenylsulfanylpropan-2-ol
SMILESC[C@H](O)CSc1ccccc1
InChIInChI=1S/C9H12OS/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1
InChIKeyLMWDPYSNDDVIAD-QMMMGPOBSA-N
MW168.26 g/mol
LogP2.16
Rot. Bonds3

About (2S)-1-phenylsulfanylpropan-2-ol

(2S)-1-phenylsulfanylpropan-2-ol (PubChem CID 10855897) has the molecular formula C9H12OS and a molecular weight of 168.26 g/mol. Its IUPAC name is (2S)-1-phenylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-phenylsulfanylpropan-2-ol
PubChem CID10855897
Molecular FormulaC9H12OS
Molecular Weight168.26 g/mol
Exact Mass168.06
IUPAC Name(2S)-1-phenylsulfanylpropan-2-ol
SMILESC[C@H](O)CSc1ccccc1
InChIInChI=1S/C9H12OS/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1
InChIKeyLMWDPYSNDDVIAD-QMMMGPOBSA-N
XLogP2.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-phenylsulfanylpropan-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

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenylsulfanylpropan-2-ol?
The IUPAC name of (2S)-1-phenylsulfanylpropan-2-ol (CID 10855897) is (2S)-1-phenylsulfanylpropan-2-ol.
What is the SMILES notation for (2S)-1-phenylsulfanylpropan-2-ol?
The canonical SMILES for (2S)-1-phenylsulfanylpropan-2-ol is C[C@H](O)CSc1ccccc1.
What is the InChIKey of (2S)-1-phenylsulfanylpropan-2-ol?
The InChIKey is LMWDPYSNDDVIAD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12OS/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-phenylsulfanylpropan-2-ol?
(2S)-1-phenylsulfanylpropan-2-ol has a molecular weight of 168.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenylsulfanylpropan-2-ol is sourced from PubChem (CID 10855897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).