(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone

C9H3Br2ClOS2 — CID 107960103

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone
SMILESO=C(c1csc(Br)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H3Br2ClOS2/c10-7-1-4(3-14-7)8(13)6-2-5(12)9(11)15-6/h1-3H
InChIKeyLNOVFGZHRZGRBF-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.22
Rot. Bonds2

About (5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone

(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone (PubChem CID 107960103) has the molecular formula C9H3Br2ClOS2 and a molecular weight of 386.52 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone
PubChem CID107960103
Molecular FormulaC9H3Br2ClOS2
Molecular Weight386.52 g/mol
Exact Mass383.77
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone
SMILESO=C(c1csc(Br)c1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C9H3Br2ClOS2/c10-7-1-4(3-14-7)8(13)6-2-5(12)9(11)15-6/h1-3H
InChIKeyLNOVFGZHRZGRBF-UHFFFAOYSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734
(5-bromo-4-chlorothiophen-2-yl)-(3-chlorophenyl)methanone
CID 80531681
(5-bromothiophen-3-yl)-(2-chlorophenyl)methanone
CID 105081417
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-5-methylphenyl)methanone
CID 81322994
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone
CID 80531678
(5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone
CID 131162385
(5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone
CID 81126735
(5-bromo-4-chlorothiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 80532463
(5-bromo-4-chlorothiophen-2-yl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 80531550
(5-bromo-4-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methanone
CID 80531818
(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
CID 80531586
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-4-chlorothiophen-2-yl)methanone
CID 107874198

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone (CID 107960103) is (5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone is O=C(c1csc(Br)c1)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone?
The InChIKey is LNOVFGZHRZGRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Br2ClOS2/c10-7-1-4(3-14-7)8(13)6-2-5(12)9(11)15-6/h1-3H.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone?
(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone has a molecular weight of 386.52 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone is sourced from PubChem (CID 107960103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).