1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol

C14H15ClOS2 — CID 66065578

IUPAC1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(O)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C14H15ClOS2/c1-10-2-4-12(5-3-10)17-9-11(16)8-13-6-7-14(15)18-13/h2-7,11,16H,8-9H2,1H3
InChIKeyHTZOAYDPGYXAMD-UHFFFAOYSA-N
MW298.86 g/mol
LogP4.41
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol

1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol (PubChem CID 66065578) has the molecular formula C14H15ClOS2 and a molecular weight of 298.86 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
PubChem CID66065578
Molecular FormulaC14H15ClOS2
Molecular Weight298.86 g/mol
Exact Mass298.03
IUPAC Name1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
SMILESCc1ccc(SCC(O)Cc2ccc(Cl)s2)cc1
InChIInChI=1S/C14H15ClOS2/c1-10-2-4-12(5-3-10)17-9-11(16)8-13-6-7-14(15)18-13/h2-7,11,16H,8-9H2,1H3
InChIKeyHTZOAYDPGYXAMD-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-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

1-(5-chlorothiophen-2-yl)-3-methylsulfanylpropan-2-ol
CID 62691720
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 106867406
1-(4-chlorophenyl)sulfanyl-3-(4-methylphenyl)propan-2-ol
CID 66145326
1-(4-bromophenyl)sulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
CID 66054897
1-(4-methylphenyl)sulfanyl-3-phenylpropan-2-ol
CID 60722243
1-(3,5-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66064590
1-(4-chlorophenyl)sulfanyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 66143568
1-(3-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66065371
4-ethyl-1-(4-methylphenyl)sulfanylhexan-2-ol
CID 82920228
1-(5-chlorothiophen-2-yl)-4-(dimethylamino)butan-2-ol
CID 115346039
1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-ol
CID 62899782
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)propan-2-ol
CID 55118276

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol (CID 66065578) is 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol is Cc1ccc(SCC(O)Cc2ccc(Cl)s2)cc1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is HTZOAYDPGYXAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClOS2/c1-10-2-4-12(5-3-10)17-9-11(16)8-13-6-7-14(15)18-13/h2-7,11,16H,8-9H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol?
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 298.86 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 66065578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).