(2S,3S)-3-phenylsulfanylbutan-2-ol

C10H14OS — CID 15505655

IUPAC(2S,3S)-3-phenylsulfanylbutan-2-ol
SMILESC[C@H](O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C10H14OS/c1-8(11)9(2)12-10-6-4-3-5-7-10/h3-9,11H,1-2H3/t8-,9-/m0/s1
InChIKeyZPNZKTJWTXMMEW-IUCAKERBSA-N
MW182.29 g/mol
LogP2.55
Rot. Bonds3

About (2S,3S)-3-phenylsulfanylbutan-2-ol

(2S,3S)-3-phenylsulfanylbutan-2-ol (PubChem CID 15505655) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is (2S,3S)-3-phenylsulfanylbutan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-phenylsulfanylbutan-2-ol
PubChem CID15505655
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name(2S,3S)-3-phenylsulfanylbutan-2-ol
SMILESC[C@H](O)[C@H](C)Sc1ccccc1
InChIInChI=1S/C10H14OS/c1-8(11)9(2)12-10-6-4-3-5-7-10/h3-9,11H,1-2H3/t8-,9-/m0/s1
InChIKeyZPNZKTJWTXMMEW-IUCAKERBSA-N
XLogP2.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

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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 (2S,3S)-3-phenylsulfanylbutan-2-ol?
The IUPAC name of (2S,3S)-3-phenylsulfanylbutan-2-ol (CID 15505655) is (2S,3S)-3-phenylsulfanylbutan-2-ol.
What is the SMILES notation for (2S,3S)-3-phenylsulfanylbutan-2-ol?
The canonical SMILES for (2S,3S)-3-phenylsulfanylbutan-2-ol is C[C@H](O)[C@H](C)Sc1ccccc1.
What is the InChIKey of (2S,3S)-3-phenylsulfanylbutan-2-ol?
The InChIKey is ZPNZKTJWTXMMEW-IUCAKERBSA-N. The full InChI is InChI=1S/C10H14OS/c1-8(11)9(2)12-10-6-4-3-5-7-10/h3-9,11H,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-phenylsulfanylbutan-2-ol?
(2S,3S)-3-phenylsulfanylbutan-2-ol has a molecular weight of 182.29 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-phenylsulfanylbutan-2-ol is sourced from PubChem (CID 15505655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).