2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile

C11H8ClNS — CID 130956308

IUPAC2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile
SMILESCCc1ccc2cc(Cl)sc2c1C#N
InChIInChI=1S/C11H8ClNS/c1-2-7-3-4-8-5-10(12)14-11(8)9(7)6-13/h3-5H,2H2,1H3
InChIKeyNMVRYQYFWMJZDT-UHFFFAOYSA-N
MW221.71 g/mol
LogP3.99
Rot. Bonds1

About 2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile

2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile (PubChem CID 130956308) has the molecular formula C11H8ClNS and a molecular weight of 221.71 g/mol. Its IUPAC name is 2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile
PubChem CID130956308
Molecular FormulaC11H8ClNS
Molecular Weight221.71 g/mol
Exact Mass221.01
IUPAC Name2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile
SMILESCCc1ccc2cc(Cl)sc2c1C#N
InChIInChI=1S/C11H8ClNS/c1-2-7-3-4-8-5-10(12)14-11(8)9(7)6-13/h3-5H,2H2,1H3
InChIKeyNMVRYQYFWMJZDT-UHFFFAOYSA-N
XLogP3.99
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile?
The IUPAC name of 2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile (CID 130956308) is 2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile.
What is the SMILES notation for 2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile?
The canonical SMILES for 2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile is CCc1ccc2cc(Cl)sc2c1C#N.
What is the InChIKey of 2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile?
The InChIKey is NMVRYQYFWMJZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNS/c1-2-7-3-4-8-5-10(12)14-11(8)9(7)6-13/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile?
2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile has a molecular weight of 221.71 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-1-benzothiophene-7-carbonitrile is sourced from PubChem (CID 130956308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).