(2S)-1-[(S)-phenylsulfinyl]propan-2-ol

C9H12O2S — CID 11206200

IUPAC(2S)-1-[(S)-phenylsulfinyl]propan-2-ol
SMILESC[C@H](O)C[S@](=O)c1ccccc1
InChIInChI=1S/C9H12O2S/c1-8(10)7-12(11)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,12-/m0/s1
InChIKeyOXMABGRJYRIPQD-UFBFGSQYSA-N
MW184.26 g/mol
LogP1.17
Rot. Bonds3

About (2S)-1-[(S)-phenylsulfinyl]propan-2-ol

(2S)-1-[(S)-phenylsulfinyl]propan-2-ol (PubChem CID 11206200) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is (2S)-1-[(S)-phenylsulfinyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(S)-phenylsulfinyl]propan-2-ol
PubChem CID11206200
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name(2S)-1-[(S)-phenylsulfinyl]propan-2-ol
SMILESC[C@H](O)C[S@](=O)c1ccccc1
InChIInChI=1S/C9H12O2S/c1-8(10)7-12(11)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,12-/m0/s1
InChIKeyOXMABGRJYRIPQD-UFBFGSQYSA-N
XLogP1.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(benzenesulfinyl)propan-2-ol
CID 101158828
(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10932431
(2R)-1-[(R)-phenylsulfinyl]-3-(propan-2-ylamino)propan-2-ol
CID 97356477
1-[(S)-2-methylpropylsulfinyl]-4-phenylbenzene
CID 139094070
(1R)-2-(benzenesulfinyl)-1-cyclopentylethanol
CID 167596869
(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026508
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026509
ethylsulfinylbenzene;palladium
CID 174712422
propan-2-yl 11-(benzenesulfinyl)-10-hydroxyundecanoate
CID 10666740
4-aminooxy-5-(benzenesulfinyl)pentan-2-one
CID 23531598
(2S,3S)-2-methyl-1-(4-methylphenyl)sulfinyl-5-phenylpentan-3-ol
CID 101452810
4-(2-methylpropylsulfinyl)phenol
CID 130057577

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(S)-phenylsulfinyl]propan-2-ol?
The IUPAC name of (2S)-1-[(S)-phenylsulfinyl]propan-2-ol (CID 11206200) is (2S)-1-[(S)-phenylsulfinyl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(S)-phenylsulfinyl]propan-2-ol?
The canonical SMILES for (2S)-1-[(S)-phenylsulfinyl]propan-2-ol is C[C@H](O)C[S@](=O)c1ccccc1.
What is the InChIKey of (2S)-1-[(S)-phenylsulfinyl]propan-2-ol?
The InChIKey is OXMABGRJYRIPQD-UFBFGSQYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-8(10)7-12(11)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,12-/m0/s1.
What are the key properties of (2S)-1-[(S)-phenylsulfinyl]propan-2-ol?
(2S)-1-[(S)-phenylsulfinyl]propan-2-ol has a molecular weight of 184.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(S)-phenylsulfinyl]propan-2-ol is sourced from PubChem (CID 11206200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).