6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene

C11H12S2 — CID 117185899

IUPAC6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene
SMILESCSCc1cc2ccc(C)cc2s1
InChIInChI=1S/C11H12S2/c1-8-3-4-9-6-10(7-12-2)13-11(9)5-8/h3-6H,7H2,1-2H3
InChIKeyGADFUZLPUGZURD-UHFFFAOYSA-N
MW208.35 g/mol
LogP4.07
Rot. Bonds2

About 6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene

6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene (PubChem CID 117185899) has the molecular formula C11H12S2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene.

Molecular Properties

Compound Name6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene
PubChem CID117185899
Molecular FormulaC11H12S2
Molecular Weight208.35 g/mol
Exact Mass208.04
IUPAC Name6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene
SMILESCSCc1cc2ccc(C)cc2s1
InChIInChI=1S/C11H12S2/c1-8-3-4-9-6-10(7-12-2)13-11(9)5-8/h3-6H,7H2,1-2H3
InChIKeyGADFUZLPUGZURD-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethylsulfanylmethyl)-6-methyl-1-benzothiophene
CID 117185902
6-methyl-2-(2-methylphenyl)-1-benzothiophene
CID 142624987
6-methyl-1-benzothiophene-2-carboxylic acid
CID 12813850
(2-ethyl-1-benzothiophen-6-yl)methanamine
CID 84663632
5-methyl-2-(2-methylpropyl)-1-benzothiophene
CID 70881038
dimethyl-[(5-methyl-1-benzothiophen-2-yl)methyl]azanium
CID 7172332
(6-methyl-1-benzothiophen-2-yl) formate
CID 142735292
1,4-dimethyl-2-(methylsulfanylmethyl)benzene
CID 11768926
5-(6-methyl-1-benzothiophen-2-yl)pyridin-2-amine
CID 115113658
N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine
CID 117195817
3-(5-methyl-1-benzothiophen-2-yl)propan-1-amine
CID 82610165
2-(4-bromonaphthalen-1-yl)-6-methyl-1-benzothiophene
CID 165345944

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene?
The IUPAC name of 6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene (CID 117185899) is 6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene.
What is the SMILES notation for 6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene?
The canonical SMILES for 6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene is CSCc1cc2ccc(C)cc2s1.
What is the InChIKey of 6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene?
The InChIKey is GADFUZLPUGZURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S2/c1-8-3-4-9-6-10(7-12-2)13-11(9)5-8/h3-6H,7H2,1-2H3.
What are the key properties of 6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene?
6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene has a molecular weight of 208.35 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(methylsulfanylmethyl)-1-benzothiophene is sourced from PubChem (CID 117185899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).