7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene

C9H6BrClS2 — CID 130970948

IUPAC7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(Cl)c2ccsc2c1Br
InChIInChI=1S/C9H6BrClS2/c1-12-7-4-6(11)5-2-3-13-9(5)8(7)10/h2-4H,1H3
InChIKeyPUMKXJQDLHGGTG-UHFFFAOYSA-N
MW293.64 g/mol
LogP5.04
Rot. Bonds1

About 7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene

7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene (PubChem CID 130970948) has the molecular formula C9H6BrClS2 and a molecular weight of 293.64 g/mol. Its IUPAC name is 7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene
PubChem CID130970948
Molecular FormulaC9H6BrClS2
Molecular Weight293.64 g/mol
Exact Mass291.88
IUPAC Name7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(Cl)c2ccsc2c1Br
InChIInChI=1S/C9H6BrClS2/c1-12-7-4-6(11)5-2-3-13-9(5)8(7)10/h2-4H,1H3
InChIKeyPUMKXJQDLHGGTG-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.64
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dichloro-7-methylsulfanyl-1-benzothiophene
CID 130825861
4-bromo-5-methylsulfanyl-1-benzothiophene-7-thiol
CID 131033759
4-bromo-5-iodo-7-methylsulfanyl-1-benzothiophene
CID 130839750
6-chloro-4-methylsulfanyl-1-benzothiophene-7-carbonitrile
CID 131191503
7-bromo-5-chloro-4-methyl-1-benzothiophene
CID 130969844
6-bromo-7-(bromomethyl)-4-methylsulfanyl-1-benzothiophene
CID 130951781
7-chloro-6-(chloromethyl)-4-methylsulfanyl-1-benzothiophene
CID 130926327
4-chloro-7-methylsulfanyl-1-benzothiophene-5-carbonitrile
CID 130926213
4-bromo-6-methylsulfanyl-1-benzothiophene-7-carbaldehyde
CID 130839267
4,6-dichloro-1-benzothiophen-7-amine
CID 131198058
7-chloro-5-fluoro-4-methyl-1-benzothiophene
CID 131034041
4,7-dichloro-6-(difluoromethyl)-1-benzothiophene
CID 130785826

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene?
The IUPAC name of 7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene (CID 130970948) is 7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene is CSc1cc(Cl)c2ccsc2c1Br.
What is the InChIKey of 7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene?
The InChIKey is PUMKXJQDLHGGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClS2/c1-12-7-4-6(11)5-2-3-13-9(5)8(7)10/h2-4H,1H3.
What are the key properties of 7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene?
7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene has a molecular weight of 293.64 g/mol, XLogP of 5.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-6-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130970948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).