2,3-dimethyl-7-methylsulfanyl-1-benzothiophene

C11H12S2 — CID 131075805

IUPAC2,3-dimethyl-7-methylsulfanyl-1-benzothiophene
SMILESCSc1cccc2c(C)c(C)sc12
InChIInChI=1S/C11H12S2/c1-7-8(2)13-11-9(7)5-4-6-10(11)12-3/h4-6H,1-3H3
InChIKeyDZPQQKORRPFSAM-UHFFFAOYSA-N
MW208.35 g/mol
LogP4.24
Rot. Bonds1

About 2,3-dimethyl-7-methylsulfanyl-1-benzothiophene

2,3-dimethyl-7-methylsulfanyl-1-benzothiophene (PubChem CID 131075805) has the molecular formula C11H12S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 2,3-dimethyl-7-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name2,3-dimethyl-7-methylsulfanyl-1-benzothiophene
PubChem CID131075805
Molecular FormulaC11H12S2
Molecular Weight208.35 g/mol
Exact Mass208.04
IUPAC Name2,3-dimethyl-7-methylsulfanyl-1-benzothiophene
SMILESCSc1cccc2c(C)c(C)sc12
InChIInChI=1S/C11H12S2/c1-7-8(2)13-11-9(7)5-4-6-10(11)12-3/h4-6H,1-3H3
InChIKeyDZPQQKORRPFSAM-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-dimethyl-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-methyl-7-methylsulfanyl-1-benzothiophene
CID 130941940
3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene
CID 131075795
2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene
CID 130793101
azane;2-methyl-1,3-bis(methylsulfanyl)benzene
CID 18755719
2-bromo-3-(chloromethyl)-7-methylsulfanyl-1-benzothiophene
CID 130839246
2-methyl-4-methylsulfanyl-1-benzothiophene-3-thiol
CID 131057231
2,3-dimethyl-10H-thieno[2,3-a]carbazole
CID 144848398
2-methyl-3-methylsulfanylaniline
CID 18408360
5-methylsulfanylnaphthalen-1-ol
CID 130033866
2-methyl-3-methylsulfanyl-1-benzothiophene-7-carbaldehyde
CID 131196585
ethene;1-methyl-5-methylsulfanylnaphthalene;propane
CID 165122097
3-iodo-2-methyl-1-benzothiophene-7-thiol
CID 130821468

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-methylsulfanyl-1-benzothiophene?
The IUPAC name of 2,3-dimethyl-7-methylsulfanyl-1-benzothiophene (CID 131075805) is 2,3-dimethyl-7-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 2,3-dimethyl-7-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 2,3-dimethyl-7-methylsulfanyl-1-benzothiophene is CSc1cccc2c(C)c(C)sc12.
What is the InChIKey of 2,3-dimethyl-7-methylsulfanyl-1-benzothiophene?
The InChIKey is DZPQQKORRPFSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S2/c1-7-8(2)13-11-9(7)5-4-6-10(11)12-3/h4-6H,1-3H3.
What are the key properties of 2,3-dimethyl-7-methylsulfanyl-1-benzothiophene?
2,3-dimethyl-7-methylsulfanyl-1-benzothiophene has a molecular weight of 208.35 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 131075805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).