1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one

C13H11ClOS2 — CID 66145989

IUPAC1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one
SMILESO=C(CSc1cccc(Cl)c1)Cc1cccs1
InChIInChI=1S/C13H11ClOS2/c14-10-3-1-4-12(7-10)17-9-11(15)8-13-5-2-6-16-13/h1-7H,8-9H2
InChIKeyLWOGUGPBYQVGJM-UHFFFAOYSA-N
MW282.82 g/mol
LogP4.31
Rot. Bonds5

About 1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one

1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one (PubChem CID 66145989) has the molecular formula C13H11ClOS2 and a molecular weight of 282.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one
PubChem CID66145989
Molecular FormulaC13H11ClOS2
Molecular Weight282.82 g/mol
Exact Mass281.99
IUPAC Name1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one
SMILESO=C(CSc1cccc(Cl)c1)Cc1cccs1
InChIInChI=1S/C13H11ClOS2/c14-10-3-1-4-12(7-10)17-9-11(15)8-13-5-2-6-16-13/h1-7H,8-9H2
InChIKeyLWOGUGPBYQVGJM-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one
CID 66056663
1-(3-chlorophenyl)sulfanylbutan-2-one
CID 62648231
1-(3-chlorophenyl)sulfanyl-3-(4-fluorophenyl)propan-2-one
CID 62646475
1-(3-chlorophenyl)sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 66145984
1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one
CID 82920301
2-(3-chlorophenyl)sulfanylacetamide
CID 62647381
1-(4-chloro-3-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 107884020
1-(3-chlorophenyl)sulfanyl-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-one
CID 66146410
1-phenylsulfanyl-4-thiophen-2-ylbutan-2-one
CID 65142383
1-(3-chlorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-one
CID 66147861
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 66146822
ethyl 5-(3-chlorophenyl)sulfanyl-4-oxopentanoate
CID 66323393

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one?
The IUPAC name of 1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one (CID 66145989) is 1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one?
The canonical SMILES for 1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one is O=C(CSc1cccc(Cl)c1)Cc1cccs1.
What is the InChIKey of 1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one?
The InChIKey is LWOGUGPBYQVGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS2/c14-10-3-1-4-12(7-10)17-9-11(15)8-13-5-2-6-16-13/h1-7H,8-9H2.
What are the key properties of 1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one?
1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one has a molecular weight of 282.82 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfanyl-3-thiophen-2-ylpropan-2-one is sourced from PubChem (CID 66145989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).