6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene

C10H9ClS2 — CID 130901229

IUPAC6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(Cl)cc2sc(C)cc12
InChIInChI=1S/C10H9ClS2/c1-6-3-8-9(12-2)4-7(11)5-10(8)13-6/h3-5H,1-2H3
InChIKeyATWUJLYHFRRUEY-UHFFFAOYSA-N
MW228.77 g/mol
LogP4.59
Rot. Bonds1

About 6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene

6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene (PubChem CID 130901229) has the molecular formula C10H9ClS2 and a molecular weight of 228.77 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene
PubChem CID130901229
Molecular FormulaC10H9ClS2
Molecular Weight228.77 g/mol
Exact Mass227.98
IUPAC Name6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene
SMILESCSc1cc(Cl)cc2sc(C)cc12
InChIInChI=1S/C10H9ClS2/c1-6-3-8-9(12-2)4-7(11)5-10(8)13-6/h3-5H,1-2H3
InChIKeyATWUJLYHFRRUEY-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-methylsulfanyl-1-benzothiophen-6-amine
CID 130816730
2-iodo-6-methyl-4-methylsulfanyl-1-benzothiophene
CID 131002405
6-chloro-4-methylsulfanyl-1,3-benzothiazol-2-amine
CID 30029869
6-chloro-4-iodo-2-methylsulfanyl-1-benzothiophene
CID 131001321
6-(chloromethyl)-2-iodo-4-methylsulfanyl-1-benzothiophene
CID 131097083
2,6-dichloro-3-methylsulfanyl-1-benzothiophene
CID 131223527
4-chloro-1-methyl-2-methylsulfanylbenzene;ethane
CID 177366808
2-bromo-6-(bromomethyl)-4-methylsulfanyl-1-benzothiophene
CID 131076295
5-fluoro-2-methyl-1-benzothiophen-4-ol
CID 131057323
2,5-dimethylthieno[3,2-b]thiophene;ethane
CID 144533203
5-chloro-2-fluoro-3-methylsulfanylaniline
CID 83410374
5-chloro-2-methyl-1-benzothiophene
CID 2747689

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene?
The IUPAC name of 6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene (CID 130901229) is 6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene is CSc1cc(Cl)cc2sc(C)cc12.
What is the InChIKey of 6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene?
The InChIKey is ATWUJLYHFRRUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClS2/c1-6-3-8-9(12-2)4-7(11)5-10(8)13-6/h3-5H,1-2H3.
What are the key properties of 6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene?
6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene has a molecular weight of 228.77 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130901229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).