(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone

C13H11ClOS2 — CID 102763071

IUPAC(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2cc(C)c(Cl)s2)cc1
InChIInChI=1S/C13H11ClOS2/c1-8-7-11(17-13(8)14)12(15)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3
InChIKeyKGVUNGDDYPIEKW-UHFFFAOYSA-N
MW282.82 g/mol
LogP4.66
Rot. Bonds3

About (5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone

(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone (PubChem CID 102763071) has the molecular formula C13H11ClOS2 and a molecular weight of 282.82 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
PubChem CID102763071
Molecular FormulaC13H11ClOS2
Molecular Weight282.82 g/mol
Exact Mass281.99
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)c2cc(C)c(Cl)s2)cc1
InChIInChI=1S/C13H11ClOS2/c1-8-7-11(17-13(8)14)12(15)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3
InChIKeyKGVUNGDDYPIEKW-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102826619
(4,5-dibromothiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 80532450
(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 113241964
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762901
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940
(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762924
(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 102762834
(2-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762871
(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765197
1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763000
(2-bromo-3-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762964
(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 102765208

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone (CID 102763071) is (5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)c2cc(C)c(Cl)s2)cc1.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is KGVUNGDDYPIEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS2/c1-8-7-11(17-13(8)14)12(15)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone?
(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 282.82 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 102763071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).