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

C9H4BrClOS2 — CID 131162385

IUPAC(5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone
SMILESO=C(c1csc(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C9H4BrClOS2/c10-7-2-1-6(14-7)9(12)5-3-8(11)13-4-5/h1-4H
InChIKeyOMHDTHFNRRXEFV-UHFFFAOYSA-N
MW307.62 g/mol
LogP4.46
Rot. Bonds2

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

(5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone (PubChem CID 131162385) has the molecular formula C9H4BrClOS2 and a molecular weight of 307.62 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone
PubChem CID131162385
Molecular FormulaC9H4BrClOS2
Molecular Weight307.62 g/mol
Exact Mass305.86
IUPAC Name(5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone
SMILESO=C(c1csc(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C9H4BrClOS2/c10-7-2-1-6(14-7)9(12)5-3-8(11)13-4-5/h1-4H
InChIKeyOMHDTHFNRRXEFV-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.62
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone
CID 107960103
(5-bromothiophen-2-yl)-(4-hydroxyphenyl)methanone
CID 82093989
3-(5-bromothiophene-2-carbonyl)benzoic acid
CID 91881878
(5-bromothiophen-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 61103389
(5-bromothiophen-2-yl)-(3-methylphenyl)methanone
CID 61101862
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanone
CID 115483522
5-chlorothiophene-3-carboxamide
CID 818858
(4-bromo-5-chloro-2-fluorophenyl)-(5-bromothiophen-2-yl)methanone
CID 105398296
(5-chlorothiophen-3-yl)-(2-fluorophenyl)methanone
CID 130815562
(5-bromothiophen-2-yl)-(4-methylsulfonylphenyl)methanone
CID 61102051
(5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491329
(5-bromothiophen-2-yl)-(3-methoxy-4-methylphenyl)methanone
CID 61103194

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone?
The IUPAC name of (5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone (CID 131162385) is (5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone.
What is the SMILES notation for (5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone?
The canonical SMILES for (5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone is O=C(c1csc(Cl)c1)c1ccc(Br)s1.
What is the InChIKey of (5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone?
The InChIKey is OMHDTHFNRRXEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClOS2/c10-7-2-1-6(14-7)9(12)5-3-8(11)13-4-5/h1-4H.
What are the key properties of (5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone?
(5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone has a molecular weight of 307.62 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(5-chlorothiophen-3-yl)methanone is sourced from PubChem (CID 131162385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).