2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene

C10H9ClOS2 — CID 130793101

IUPAC2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene
SMILESCOc1c(Cl)sc2c(SC)cccc12
InChIInChI=1S/C10H9ClOS2/c1-12-8-6-4-3-5-7(13-2)9(6)14-10(8)11/h3-5H,1-2H3
InChIKeyCKXWTLHYTZKDTO-UHFFFAOYSA-N
MW244.77 g/mol
LogP4.29
Rot. Bonds2

About 2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene

2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene (PubChem CID 130793101) has the molecular formula C10H9ClOS2 and a molecular weight of 244.77 g/mol. Its IUPAC name is 2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene
PubChem CID130793101
Molecular FormulaC10H9ClOS2
Molecular Weight244.77 g/mol
Exact Mass243.98
IUPAC Name2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene
SMILESCOc1c(Cl)sc2c(SC)cccc12
InChIInChI=1S/C10H9ClOS2/c1-12-8-6-4-3-5-7(13-2)9(6)14-10(8)11/h3-5H,1-2H3
InChIKeyCKXWTLHYTZKDTO-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.77
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-2-methoxy-3-methylsulfanylbenzene
CID 91880715
2,3-dimethyl-7-methylsulfanyl-1-benzothiophene
CID 131075805
3-bromo-2-fluoro-7-methylsulfanyl-1-benzothiophene
CID 131075795
3-bromo-2-methyl-7-methylsulfanyl-1-benzothiophene
CID 130941940
2-bromo-3-(chloromethyl)-7-methylsulfanyl-1-benzothiophene
CID 130839246
1-bromo-2-methoxy-3-methylsulfanylbenzene
CID 91880733
2-chloro-6-fluoro-3-methoxy-1-benzothiophene
CID 130839104
1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene
CID 164893202
4-chloro-7-methylsulfanyl-1-benzothiophene-2-thiol
CID 130956480
2-(2-methoxy-3-methylsulfanylphenyl)ethanamine
CID 117287338
2-chloro-7-methoxy-1-benzothiophene-3-carboxylic acid
CID 83825002
2-fluoro-1-methoxy-3-methylsulfanylbenzene
CID 91881055

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene?
The IUPAC name of 2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene (CID 130793101) is 2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene is COc1c(Cl)sc2c(SC)cccc12.
What is the InChIKey of 2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene?
The InChIKey is CKXWTLHYTZKDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClOS2/c1-12-8-6-4-3-5-7(13-2)9(6)14-10(8)11/h3-5H,1-2H3.
What are the key properties of 2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene?
2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene has a molecular weight of 244.77 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-7-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130793101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).