3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene

C10H9BrS2 — CID 130941940

IUPAC3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene
SMILESCSc1cccc2c(Br)c(C)sc12
InChIInChI=1S/C10H9BrS2/c1-6-9(11)7-4-3-5-8(12-2)10(7)13-6/h3-5H,1-2H3
InChIKeyUDZDXDNLODLQEE-UHFFFAOYSA-N
MW273.22 g/mol
LogP4.69
Rot. Bonds1

About 3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene

3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene (PubChem CID 130941940) has the molecular formula C10H9BrS2 and a molecular weight of 273.22 g/mol. Its IUPAC name is 3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene
PubChem CID130941940
Molecular FormulaC10H9BrS2
Molecular Weight273.22 g/mol
Exact Mass271.93
IUPAC Name3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene
SMILESCSc1cccc2c(Br)c(C)sc12
InChIInChI=1S/C10H9BrS2/c1-6-9(11)7-4-3-5-8(12-2)10(7)13-6/h3-5H,1-2H3
InChIKeyUDZDXDNLODLQEE-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene
CID 131075795
2,3-dimethyl-7-methylsulfanyl-1-benzothiophene
CID 131075805
2-bromo-3-(chloromethyl)-7-methylsulfanyl-1-benzothiophene
CID 130839246
3-bromo-2-methyl-7-prop-1-en-2-yl-1-benzothiophene
CID 68857012
2-(3-bromo-2-methyl-1-benzothiophen-7-yl)acetaldehyde
CID 87714844
2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene
CID 130793101
5-methylsulfanylnaphthalen-1-ol
CID 130033866
2-methyl-4-methylsulfanyl-1-benzothiophene-3-thiol
CID 131057231
3-bromo-2-(difluoromethyl)-7-methyl-1-benzothiophene
CID 131034319
azane;2-methyl-1,3-bis(methylsulfanyl)benzene
CID 18755719
4-bromo-5-iodo-7-methylsulfanyl-1-benzothiophene
CID 130839750
4-bromo-5-methylsulfanyl-1-benzothiophene-7-thiol
CID 131033759

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene?
The IUPAC name of 3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene (CID 130941940) is 3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene is CSc1cccc2c(Br)c(C)sc12.
What is the InChIKey of 3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene?
The InChIKey is UDZDXDNLODLQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrS2/c1-6-9(11)7-4-3-5-8(12-2)10(7)13-6/h3-5H,1-2H3.
What are the key properties of 3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene?
3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene has a molecular weight of 273.22 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130941940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).