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

C8H9NS — CID 63992078

IUPAC2-(3-methylthiophen-2-yl)propanenitrile
SMILESCc1ccsc1C(C)C#N
InChIInChI=1S/C8H9NS/c1-6-3-4-10-8(6)7(2)5-9/h3-4,7H,1-2H3
InChIKeyGKHPQRKNTQVZFK-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.68
Rot. Bonds1

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

2-(3-methylthiophen-2-yl)propanenitrile (PubChem CID 63992078) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)propanenitrile
PubChem CID63992078
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name2-(3-methylthiophen-2-yl)propanenitrile
SMILESCc1ccsc1C(C)C#N
InChIInChI=1S/C8H9NS/c1-6-3-4-10-8(6)7(2)5-9/h3-4,7H,1-2H3
InChIKeyGKHPQRKNTQVZFK-UHFFFAOYSA-N
XLogP2.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-(3-methylthiophen-2-yl)acetonitrile
CID 66070706
(3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride
CID 171259927
2-(1-chloro-2-methylpropyl)-3-methylthiophene
CID 126973864
(E)-4-hydroxy-4-(3-methylthiophen-2-yl)but-2-enenitrile
CID 131237217
3-methyl-2-(4-methylpentan-2-yl)thiophene
CID 58489062
2-(4-fluoroanilino)-2-(3-methylthiophen-2-yl)acetonitrile
CID 61348317
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]propanenitrile
CID 115130337
2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile
CID 61346177
2-bromo-1-(3-methylthiophen-2-yl)propan-1-ol
CID 116863428
3-methyl-2-(3-methylthiophen-2-yl)butan-1-ol
CID 116964294
3-methyl-2-pentan-2-ylthiophene
CID 59774172
2-[methyl-[2-(3-methylthiophen-2-yl)ethyl]amino]propanenitrile
CID 115130607

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)propanenitrile?
The IUPAC name of 2-(3-methylthiophen-2-yl)propanenitrile (CID 63992078) is 2-(3-methylthiophen-2-yl)propanenitrile.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)propanenitrile?
The canonical SMILES for 2-(3-methylthiophen-2-yl)propanenitrile is Cc1ccsc1C(C)C#N.
What is the InChIKey of 2-(3-methylthiophen-2-yl)propanenitrile?
The InChIKey is GKHPQRKNTQVZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-6-3-4-10-8(6)7(2)5-9/h3-4,7H,1-2H3.
What are the key properties of 2-(3-methylthiophen-2-yl)propanenitrile?
2-(3-methylthiophen-2-yl)propanenitrile has a molecular weight of 151.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)propanenitrile is sourced from PubChem (CID 63992078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).