1-(4-chlorophenyl)sulfanylbutan-2-ol

C10H13ClOS — CID 22247728

IUPAC1-(4-chlorophenyl)sulfanylbutan-2-ol
SMILESCCC(O)CSc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClOS/c1-2-9(12)7-13-10-5-3-8(11)4-6-10/h3-6,9,12H,2,7H2,1H3
InChIKeyMICBSWQIGARZCN-UHFFFAOYSA-N
MW216.73 g/mol
LogP3.20
Rot. Bonds4

About 1-(4-chlorophenyl)sulfanylbutan-2-ol

1-(4-chlorophenyl)sulfanylbutan-2-ol (PubChem CID 22247728) has the molecular formula C10H13ClOS and a molecular weight of 216.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfanylbutan-2-ol
PubChem CID22247728
Molecular FormulaC10H13ClOS
Molecular Weight216.73 g/mol
Exact Mass216.04
IUPAC Name1-(4-chlorophenyl)sulfanylbutan-2-ol
SMILESCCC(O)CSc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClOS/c1-2-9(12)7-13-10-5-3-8(11)4-6-10/h3-6,9,12H,2,7H2,1H3
InChIKeyMICBSWQIGARZCN-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.73
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)sulfanyl-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143233
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-ol
CID 114931546
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(4-chlorophenyl)sulfanyl-3-cyclopropylpropan-2-ol
CID 66142592
1-(4-chlorophenyl)sulfanyl-4-methylsulfonylbutan-2-ol
CID 66144348
1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 66143568
1-(2-chloro-3-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 115983590
1-(2-chloro-6-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143959
(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 35672224
1-chloro-4-ethylsulfanylbenzene
CID 5324154
1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66145512
1-(4-chlorophenyl)-3-(4-fluorophenyl)sulfanyl-2-methylpropan-1-one
CID 68860204

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfanylbutan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)sulfanylbutan-2-ol (CID 22247728) is 1-(4-chlorophenyl)sulfanylbutan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)sulfanylbutan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)sulfanylbutan-2-ol is CCC(O)CSc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfanylbutan-2-ol?
The InChIKey is MICBSWQIGARZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClOS/c1-2-9(12)7-13-10-5-3-8(11)4-6-10/h3-6,9,12H,2,7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfanylbutan-2-ol?
1-(4-chlorophenyl)sulfanylbutan-2-ol has a molecular weight of 216.73 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfanylbutan-2-ol is sourced from PubChem (CID 22247728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).