3-(5-methylthiophen-2-yl)propanenitrile

C8H9NS — CID 67437836

IUPAC3-(5-methylthiophen-2-yl)propanenitrile
SMILESCc1ccc(CCC#N)s1
InChIInChI=1S/C8H9NS/c1-7-4-5-8(10-7)3-2-6-9/h4-5H,2-3H2,1H3
InChIKeyZFAKEJYYIHAMFH-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.51
Rot. Bonds2

About 3-(5-methylthiophen-2-yl)propanenitrile

3-(5-methylthiophen-2-yl)propanenitrile (PubChem CID 67437836) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)propanenitrile
PubChem CID67437836
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name3-(5-methylthiophen-2-yl)propanenitrile
SMILESCc1ccc(CCC#N)s1
InChIInChI=1S/C8H9NS/c1-7-4-5-8(10-7)3-2-6-9/h4-5H,2-3H2,1H3
InChIKeyZFAKEJYYIHAMFH-UHFFFAOYSA-N
XLogP2.51
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)propanenitrile?
The IUPAC name of 3-(5-methylthiophen-2-yl)propanenitrile (CID 67437836) is 3-(5-methylthiophen-2-yl)propanenitrile.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)propanenitrile?
The canonical SMILES for 3-(5-methylthiophen-2-yl)propanenitrile is Cc1ccc(CCC#N)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)propanenitrile?
The InChIKey is ZFAKEJYYIHAMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-7-4-5-8(10-7)3-2-6-9/h4-5H,2-3H2,1H3.
What are the key properties of 3-(5-methylthiophen-2-yl)propanenitrile?
3-(5-methylthiophen-2-yl)propanenitrile has a molecular weight of 151.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)propanenitrile is sourced from PubChem (CID 67437836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).