2-bromo-6-chloro-4-methoxy-1-benzothiophene

C9H6BrClOS — CID 130914553

IUPAC2-bromo-6-chloro-4-methoxy-1-benzothiophene
SMILESCOc1cc(Cl)cc2sc(Br)cc12
InChIInChI=1S/C9H6BrClOS/c1-12-7-2-5(11)3-8-6(7)4-9(10)13-8/h2-4H,1H3
InChIKeyCLUOGTSCWDPZGI-UHFFFAOYSA-N
MW277.57 g/mol
LogP4.33
Rot. Bonds1

About 2-bromo-6-chloro-4-methoxy-1-benzothiophene

2-bromo-6-chloro-4-methoxy-1-benzothiophene (PubChem CID 130914553) has the molecular formula C9H6BrClOS and a molecular weight of 277.57 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-methoxy-1-benzothiophene.

Molecular Properties

Compound Name2-bromo-6-chloro-4-methoxy-1-benzothiophene
PubChem CID130914553
Molecular FormulaC9H6BrClOS
Molecular Weight277.57 g/mol
Exact Mass275.90
IUPAC Name2-bromo-6-chloro-4-methoxy-1-benzothiophene
SMILESCOc1cc(Cl)cc2sc(Br)cc12
InChIInChI=1S/C9H6BrClOS/c1-12-7-2-5(11)3-8-6(7)4-9(10)13-8/h2-4H,1H3
InChIKeyCLUOGTSCWDPZGI-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.57
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-7-methoxy-1-benzothiophene
CID 83920141
2-bromo-5-[[2-(bromomethyl)-4-chloro-6-methoxyphenoxy]methyl]thiophene
CID 104666392
(1R)-1-(5-chloro-2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 66518018
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
2,5-dibromo-3-[chloro-(4-chloro-2-methoxyphenyl)methyl]thiophene
CID 55197955
3-bromo-5-methoxy-2,6-dimethyl-1-benzothiophene;ethane
CID 142393181
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
CID 173037834
3,4-dibromo-6-chloro-8-methoxy-2-methylquinoline
CID 121237017
5-chloro-1-(5-chloro-2-methoxyphenyl)-2,3-dimethoxybenzene
CID 143319889
1,5-dichloro-3-methoxy-2-methylbenzene
CID 23462582
methyl 6-chloro-4-methoxy-3-methyl-1-benzothiophene-2-carboxylate
CID 70514166
6-chloro-3-methoxy-1-benzothiophene-2-thiol
CID 130870490

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-methoxy-1-benzothiophene?
The IUPAC name of 2-bromo-6-chloro-4-methoxy-1-benzothiophene (CID 130914553) is 2-bromo-6-chloro-4-methoxy-1-benzothiophene.
What is the SMILES notation for 2-bromo-6-chloro-4-methoxy-1-benzothiophene?
The canonical SMILES for 2-bromo-6-chloro-4-methoxy-1-benzothiophene is COc1cc(Cl)cc2sc(Br)cc12.
What is the InChIKey of 2-bromo-6-chloro-4-methoxy-1-benzothiophene?
The InChIKey is CLUOGTSCWDPZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClOS/c1-12-7-2-5(11)3-8-6(7)4-9(10)13-8/h2-4H,1H3.
What are the key properties of 2-bromo-6-chloro-4-methoxy-1-benzothiophene?
2-bromo-6-chloro-4-methoxy-1-benzothiophene has a molecular weight of 277.57 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-methoxy-1-benzothiophene is sourced from PubChem (CID 130914553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).