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

C14H9ClOS2 — CID 102763000

IUPAC1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cc3ccccc3s2)sc1Cl
InChIInChI=1S/C14H9ClOS2/c1-8-6-11(18-14(8)15)13(16)12-7-9-4-2-3-5-10(9)17-12/h2-7H,1H3
InChIKeyNREPNNKBSJYIOC-UHFFFAOYSA-N
MW292.81 g/mol
LogP5.16
Rot. Bonds2

About 1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone

1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone (PubChem CID 102763000) has the molecular formula C14H9ClOS2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone
PubChem CID102763000
Molecular FormulaC14H9ClOS2
Molecular Weight292.81 g/mol
Exact Mass291.98
IUPAC Name1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone
SMILESCc1cc(C(=O)c2cc3ccccc3s2)sc1Cl
InChIInChI=1S/C14H9ClOS2/c1-8-6-11(18-14(8)15)13(16)12-7-9-4-2-3-5-10(9)17-12/h2-7H,1H3
InChIKeyNREPNNKBSJYIOC-UHFFFAOYSA-N
XLogP5.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.81
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1-benzothiophen-2-yl)methanone
CID 5330534
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone
CID 114976116
1-benzothiophen-2-yl(furan-3-yl)methanone
CID 71739499
N-(2,6-dimethylphenyl)-1-benzothiophene-2-carboxamide
CID 27844987
1-(1-benzothiophen-2-yl)-2,2-dichloroethanone
CID 141104208
1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone
CID 118714408
1-benzothiophen-2-yl-(2-methoxy-5-methylphenyl)methanone
CID 61406778
(5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone
CID 102763056
(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 102762834

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone (CID 102763000) is 1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone is Cc1cc(C(=O)c2cc3ccccc3s2)sc1Cl.
What is the InChIKey of 1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone?
The InChIKey is NREPNNKBSJYIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClOS2/c1-8-6-11(18-14(8)15)13(16)12-7-9-4-2-3-5-10(9)17-12/h2-7H,1H3.
What are the key properties of 1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone?
1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone has a molecular weight of 292.81 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 102763000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).