2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one

C13H10Cl2OS2 — CID 43802287

IUPAC2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCC(Sc1ccccc1Cl)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10Cl2OS2/c1-8(13(16)11-6-7-12(15)18-11)17-10-5-3-2-4-9(10)14/h2-8H,1H3
InChIKeyACWDSXDCGJPUGI-UHFFFAOYSA-N
MW317.26 g/mol
LogP5.42
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one

2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one (PubChem CID 43802287) has the molecular formula C13H10Cl2OS2 and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one
PubChem CID43802287
Molecular FormulaC13H10Cl2OS2
Molecular Weight317.26 g/mol
Exact Mass315.96
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one
SMILESCC(Sc1ccccc1Cl)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C13H10Cl2OS2/c1-8(13(16)11-6-7-12(15)18-11)17-10-5-3-2-4-9(10)14/h2-8H,1H3
InChIKeyACWDSXDCGJPUGI-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.26
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-propan-2-ylsulfanylpropan-1-one
CID 60884100
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
1-(5-chlorothiophen-2-yl)-2-(1-methylpyrazol-4-yl)sulfanylpropan-1-one
CID 61385071
1-(5-chlorothiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-one
CID 62409000
2-(2-chlorophenyl)sulfanylpropanehydrazide
CID 61059907
N-[4-[2-(2-chlorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 112778861
1-(5-chlorothiophen-2-yl)-2-(2-methylphenyl)sulfinylpropan-1-one
CID 64640149
2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfanyl-N-propylacetamide
CID 114234090
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43799802
1-(5-chlorothiophen-2-yl)-2-(3-methylphenyl)sulfinylpropan-1-one
CID 64639770
2-amino-3-(5-chlorothiophen-2-yl)-3-oxopropanoic acid
CID 116920482
N-(3-aminobutyl)-2-(2-chlorophenyl)sulfanylpropanamide
CID 119498900

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one (CID 43802287) is 2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one is CC(Sc1ccccc1Cl)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one?
The InChIKey is ACWDSXDCGJPUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2OS2/c1-8(13(16)11-6-7-12(15)18-11)17-10-5-3-2-4-9(10)14/h2-8H,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one?
2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one has a molecular weight of 317.26 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(5-chlorothiophen-2-yl)propan-1-one is sourced from PubChem (CID 43802287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).