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

C11H9ClOS2 — CID 102762940

IUPAC(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc(C)c(Cl)s2)s1
InChIInChI=1S/C11H9ClOS2/c1-6-5-9(15-11(6)12)10(13)8-4-3-7(2)14-8/h3-5H,1-2H3
InChIKeyUGKMWGWKVCKWTG-UHFFFAOYSA-N
MW256.78 g/mol
LogP4.31
Rot. Bonds2

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

(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone (PubChem CID 102762940) has the molecular formula C11H9ClOS2 and a molecular weight of 256.78 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
PubChem CID102762940
Molecular FormulaC11H9ClOS2
Molecular Weight256.78 g/mol
Exact Mass255.98
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc(C)c(Cl)s2)s1
InChIInChI=1S/C11H9ClOS2/c1-6-5-9(15-11(6)12)10(13)8-4-3-7(2)14-8/h3-5H,1-2H3
InChIKeyUGKMWGWKVCKWTG-UHFFFAOYSA-N
XLogP4.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763000
(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 102762834
(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102763071
(5-amino-2-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102765197
(4-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762924
(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 102765208
(4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone
CID 116609801
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 103400344
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762901
2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone
CID 102762735
(3-chloro-2-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763206

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone (CID 102762940) is (5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2cc(C)c(Cl)s2)s1.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is UGKMWGWKVCKWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClOS2/c1-6-5-9(15-11(6)12)10(13)8-4-3-7(2)14-8/h3-5H,1-2H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone?
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone has a molecular weight of 256.78 g/mol, XLogP of 4.31, 2 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)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 102762940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).