2-(2-benzothiophen-1-yl)acetonitrile

C10H7NS — CID 141154303

IUPAC2-(2-benzothiophen-1-yl)acetonitrile
SMILESN#CCc1scc2ccccc12
InChIInChI=1S/C10H7NS/c11-6-5-10-9-4-2-1-3-8(9)7-12-10/h1-4,7H,5H2
InChIKeyVCLBNLZZPAADBB-UHFFFAOYSA-N
MW173.24 g/mol
LogP2.97
Rot. Bonds1

About 2-(2-benzothiophen-1-yl)acetonitrile

2-(2-benzothiophen-1-yl)acetonitrile (PubChem CID 141154303) has the molecular formula C10H7NS and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-(2-benzothiophen-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-benzothiophen-1-yl)acetonitrile
PubChem CID141154303
Molecular FormulaC10H7NS
Molecular Weight173.24 g/mol
Exact Mass173.03
IUPAC Name2-(2-benzothiophen-1-yl)acetonitrile
SMILESN#CCc1scc2ccccc12
InChIInChI=1S/C10H7NS/c11-6-5-10-9-4-2-1-3-8(9)7-12-10/h1-4,7H,5H2
InChIKeyVCLBNLZZPAADBB-UHFFFAOYSA-N
XLogP2.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-benzothiophen-1-yl)acetonitrile
CID 19869654
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetonitrile
CID 24708724
2-(2-aminonaphthalen-1-yl)acetonitrile
CID 119016645
2-benzothiophen-1-ol
CID 19698750
2-(4-aminonaphthalen-2-yl)acetonitrile
CID 118802248
2-naphthalen-1-yloxyacetonitrile
CID 4123375
bis(2-benzothiophen-1-yl)methanol
CID 57200950
2-naphthalen-1-ylthiophene-3-carbonitrile
CID 11770428
2-(7-pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,10,13,15,17,19,21-undecaenyl)acetonitrile
CID 90697967
2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile
CID 118852879
ethane;2-isoquinolin-4-ylacetonitrile
CID 171567075
2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile
CID 119014714

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzothiophen-1-yl)acetonitrile?
The IUPAC name of 2-(2-benzothiophen-1-yl)acetonitrile (CID 141154303) is 2-(2-benzothiophen-1-yl)acetonitrile.
What is the SMILES notation for 2-(2-benzothiophen-1-yl)acetonitrile?
The canonical SMILES for 2-(2-benzothiophen-1-yl)acetonitrile is N#CCc1scc2ccccc12.
What is the InChIKey of 2-(2-benzothiophen-1-yl)acetonitrile?
The InChIKey is VCLBNLZZPAADBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NS/c11-6-5-10-9-4-2-1-3-8(9)7-12-10/h1-4,7H,5H2.
What are the key properties of 2-(2-benzothiophen-1-yl)acetonitrile?
2-(2-benzothiophen-1-yl)acetonitrile has a molecular weight of 173.24 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzothiophen-1-yl)acetonitrile is sourced from PubChem (CID 141154303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).