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

C10H6BrClO2S2 — CID 81126735

IUPAC(5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H6BrClO2S2/c1-14-6-2-3-15-9(6)8(13)7-4-5(12)10(11)16-7/h2-4H,1H3
InChIKeyIYLXYWAALISWQD-UHFFFAOYSA-N
MW337.65 g/mol
LogP4.47
Rot. Bonds3

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

(5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone (PubChem CID 81126735) has the molecular formula C10H6BrClO2S2 and a molecular weight of 337.65 g/mol. Its IUPAC name is (5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone
PubChem CID81126735
Molecular FormulaC10H6BrClO2S2
Molecular Weight337.65 g/mol
Exact Mass335.87
IUPAC Name(5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone
SMILESCOc1ccsc1C(=O)c1cc(Cl)c(Br)s1
InChIInChI=1S/C10H6BrClO2S2/c1-14-6-2-3-15-9(6)8(13)7-4-5(12)10(11)16-7/h2-4H,1H3
InChIKeyIYLXYWAALISWQD-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.65
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-4-chlorothiophen-2-yl)-(5-chloro-2-methoxyphenyl)methanone
CID 80531615
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 80531764
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145
(5-bromo-4-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanone
CID 80530149
(4-bromophenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127338
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127883
(5-bromo-4-chlorothiophen-2-yl)-(4-methylphenyl)methanone
CID 80531734
(5-bromo-4-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methanone
CID 80531678
bis(5-chloro-4-methoxythiophen-2-yl)methanone
CID 174849819
(4-amino-3-methylphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81124722
(5-bromo-4-chlorothiophen-2-yl)-(2-fluoro-3-methylphenyl)methanone
CID 81479635
(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone
CID 107960103

Frequently Asked Questions

What is the IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone?
The IUPAC name of (5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone (CID 81126735) is (5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone.
What is the SMILES notation for (5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone?
The canonical SMILES for (5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone is COc1ccsc1C(=O)c1cc(Cl)c(Br)s1.
What is the InChIKey of (5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone?
The InChIKey is IYLXYWAALISWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClO2S2/c1-14-6-2-3-15-9(6)8(13)7-4-5(12)10(11)16-7/h2-4H,1H3.
What are the key properties of (5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone?
(5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone has a molecular weight of 337.65 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-4-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanone is sourced from PubChem (CID 81126735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).