2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone

C14H13ClO2S2 — CID 64637762

IUPAC2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)CS(=O)c2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C14H13ClO2S2/c1-9-6-13(10(2)18-9)14(16)8-19(17)12-5-3-4-11(15)7-12/h3-7H,8H2,1-2H3
InChIKeyKQROEVBCPRCZET-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.01
Rot. Bonds4

About 2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone

2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone (PubChem CID 64637762) has the molecular formula C14H13ClO2S2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
PubChem CID64637762
Molecular FormulaC14H13ClO2S2
Molecular Weight312.84 g/mol
Exact Mass312.00
IUPAC Name2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
SMILESCc1cc(C(=O)CS(=O)c2cccc(Cl)c2)c(C)s1
InChIInChI=1S/C14H13ClO2S2/c1-9-6-13(10(2)18-9)14(16)8-19(17)12-5-3-4-11(15)7-12/h3-7H,8H2,1-2H3
InChIKeyKQROEVBCPRCZET-UHFFFAOYSA-N
XLogP4.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-2-(4-methylphenyl)sulfinylethanone
CID 64636296
2-(3-chlorophenyl)sulfinyl-1-(4-methylphenyl)ethanone
CID 64638145
1-(2,5-dichlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639371
1-(2,5-dimethylthiophen-3-yl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64638239
2-(3-chlorophenyl)sulfinyl-1-(5-ethylthiophen-2-yl)ethanone
CID 64636056
1-(2,5-dimethylthiophen-3-yl)-2-thiophen-2-ylsulfinylethanone
CID 64640088
2-(3-chlorophenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 60662425
1-(2,5-dimethylthiophen-3-yl)-2-(4-nitrophenyl)sulfinylethanone
CID 64639325
propan-2-yl 2-(3-chlorophenyl)sulfinylacetate
CID 62647010
2-(2,5-dimethylphenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 64637254
2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
CID 64636282
1-(4-chlorophenyl)-2-(3-methylphenyl)sulfinylethanone
CID 64639568

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone (CID 64637762) is 2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone is Cc1cc(C(=O)CS(=O)c2cccc(Cl)c2)c(C)s1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone?
The InChIKey is KQROEVBCPRCZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S2/c1-9-6-13(10(2)18-9)14(16)8-19(17)12-5-3-4-11(15)7-12/h3-7H,8H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone?
2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone has a molecular weight of 312.84 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinyl-1-(2,5-dimethylthiophen-3-yl)ethanone is sourced from PubChem (CID 64637762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).