1-(benzenesulfinyl)propan-2-ol

C9H12O2S — CID 12619450

IUPAC1-(benzenesulfinyl)propan-2-ol
SMILESCC(O)CS(=O)c1ccccc1
InChIInChI=1S/C9H12O2S/c1-8(10)7-12(11)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyOXMABGRJYRIPQD-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.17
Rot. Bonds3

About 1-(benzenesulfinyl)propan-2-ol

1-(benzenesulfinyl)propan-2-ol (PubChem CID 12619450) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(benzenesulfinyl)propan-2-ol.

Molecular Properties

Compound Name1-(benzenesulfinyl)propan-2-ol
PubChem CID12619450
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name1-(benzenesulfinyl)propan-2-ol
SMILESCC(O)CS(=O)c1ccccc1
InChIInChI=1S/C9H12O2S/c1-8(10)7-12(11)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyOXMABGRJYRIPQD-UHFFFAOYSA-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

(Ethylsulphonyl)benzene
CID 69032
2-(Phenylthio)ethanol
CID 69685
Butyl phenyl sulfone
CID 238507
4-[(2-Hydroxyethyl)sulfanyl]benzenesulfonamide
CID 4269754
1-(Phenylthio)-2-propanol
CID 99788
((1-Methylethyl)sulfonyl)benzene
CID 199476
Ethylphenylsulfoxide
CID 138143
3-(Phenylthio)-1,2-propanediol
CID 21231
2-(Phenylsulfonyl)ethanol
CID 30202
2-((Phenylsulfanyl)methyl)oxirane
CID 11094998
((2-Hydroxy-3-(phenylsulfanyl)propyl)sulfanyl)benzene
CID 12671306
4-[2-Hydroxy-3-(2-hydroxypropylsulfanyl)propyl]selanylbenzenesulfonamide
CID 164622123

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)propan-2-ol?
The IUPAC name of 1-(benzenesulfinyl)propan-2-ol (CID 12619450) is 1-(benzenesulfinyl)propan-2-ol.
What is the SMILES notation for 1-(benzenesulfinyl)propan-2-ol?
The canonical SMILES for 1-(benzenesulfinyl)propan-2-ol is CC(O)CS(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfinyl)propan-2-ol?
The InChIKey is OXMABGRJYRIPQD-UHFFFAOYSA-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.
What are the key properties of 1-(benzenesulfinyl)propan-2-ol?
1-(benzenesulfinyl)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 1-(benzenesulfinyl)propan-2-ol is sourced from PubChem (CID 12619450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).