2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene

C11H11ClS2 — CID 130969913

IUPAC2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene
SMILESCCc1cc(SC)cc2cc(Cl)sc12
InChIInChI=1S/C11H11ClS2/c1-3-7-4-9(13-2)5-8-6-10(12)14-11(7)8/h4-6H,3H2,1-2H3
InChIKeyZCKXSJJFKVUGEH-UHFFFAOYSA-N
MW242.80 g/mol
LogP4.84
Rot. Bonds2

About 2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene

2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene (PubChem CID 130969913) has the molecular formula C11H11ClS2 and a molecular weight of 242.80 g/mol. Its IUPAC name is 2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene.

Molecular Properties

Compound Name2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene
PubChem CID130969913
Molecular FormulaC11H11ClS2
Molecular Weight242.80 g/mol
Exact Mass242.00
IUPAC Name2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene
SMILESCCc1cc(SC)cc2cc(Cl)sc12
InChIInChI=1S/C11H11ClS2/c1-3-7-4-9(13-2)5-8-6-10(12)14-11(7)8/h4-6H,3H2,1-2H3
InChIKeyZCKXSJJFKVUGEH-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.80
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-methylsulfanyl-1-benzothiophen-7-ol
CID 130985425
5-(bromomethyl)-2-chloro-7-ethyl-1-benzothiophene
CID 131060216
7-bromo-2-chloro-6-ethyl-1-benzothiophene
CID 131215627
5-(bromomethyl)-2-chloro-7-methylsulfanyl-1-benzothiophene
CID 131138077
7-chloro-5-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 130956451
2-chloro-5-ethyl-6-fluoro-1-benzothiophene
CID 131080280
2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile
CID 130956308
(2-chloro-6-methylsulfanyl-1-benzothiophen-7-yl)methanol
CID 130985401
5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene
CID 131214219
7-ethyl-2-fluoro-5-methoxy-1-benzothiophene
CID 131097093
2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene
CID 143541778
2-chloro-7-methylsulfanyl-1-benzothiophene-6-carbonitrile
CID 130877269

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene?
The IUPAC name of 2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene (CID 130969913) is 2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene.
What is the SMILES notation for 2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene?
The canonical SMILES for 2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene is CCc1cc(SC)cc2cc(Cl)sc12.
What is the InChIKey of 2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene?
The InChIKey is ZCKXSJJFKVUGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClS2/c1-3-7-4-9(13-2)5-8-6-10(12)14-11(7)8/h4-6H,3H2,1-2H3.
What are the key properties of 2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene?
2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene has a molecular weight of 242.80 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene is sourced from PubChem (CID 130969913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).