(2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol

C14H22OS — CID 100924600

IUPAC(2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol
SMILESC[C@H](O)[C@H](C)Sc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22OS/c1-10(15)11(2)16-13-8-6-12(7-9-13)14(3,4)5/h6-11,15H,1-5H3/t10-,11-/m0/s1
InChIKeySLKUSFVWTAYAPP-QWRGUYRKSA-N
MW238.40 g/mol
LogP3.85
Rot. Bonds3

About (2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol

(2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol (PubChem CID 100924600) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is (2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol
PubChem CID100924600
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name(2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol
SMILESC[C@H](O)[C@H](C)Sc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C14H22OS/c1-10(15)11(2)16-13-8-6-12(7-9-13)14(3,4)5/h6-11,15H,1-5H3/t10-,11-/m0/s1
InChIKeySLKUSFVWTAYAPP-QWRGUYRKSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-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-((4-Tert-butylphenyl)sulfanyl)acetic acid
CID 252397
Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
1,2-Propanediol, 3-(o-tolylthio)-
CID 115624
1,2-Propanediol, 3-(p-tolylthio)-
CID 115625
1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-
CID 213096
2-m-Tolylsulfanyl-ethanol
CID 2760020
4,4'-Bis(2-hydroxyethylthio)biphenyl
CID 2192654
trans-2-(p-Tolylthio)cyclohexanol
CID 11535899
trans-(1S,2S)-2-(4-methylphenyl)sulfanylcyclohexan-1-ol
CID 12922227
1-(1,1-Dimethylethyl)-4-(ethylthio)benzene
CID 13076836
(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10488905
(2R)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 13624105

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol?
The IUPAC name of (2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol (CID 100924600) is (2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol.
What is the SMILES notation for (2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol?
The canonical SMILES for (2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol is C[C@H](O)[C@H](C)Sc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol?
The InChIKey is SLKUSFVWTAYAPP-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H22OS/c1-10(15)11(2)16-13-8-6-12(7-9-13)14(3,4)5/h6-11,15H,1-5H3/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol?
(2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol has a molecular weight of 238.40 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol is sourced from PubChem (CID 100924600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).