2-(4-methylthiophene-2-carbonyl)propanedinitrile

C9H6N2OS — CID 130992381

IUPAC2-(4-methylthiophene-2-carbonyl)propanedinitrile
SMILESCc1csc(C(=O)C(C#N)C#N)c1
InChIInChI=1S/C9H6N2OS/c1-6-2-8(13-5-6)9(12)7(3-10)4-11/h2,5,7H,1H3
InChIKeyJHMQVYLQXJSRLL-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.90
Rot. Bonds2

About 2-(4-methylthiophene-2-carbonyl)propanedinitrile

2-(4-methylthiophene-2-carbonyl)propanedinitrile (PubChem CID 130992381) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is 2-(4-methylthiophene-2-carbonyl)propanedinitrile.

Molecular Properties

Compound Name2-(4-methylthiophene-2-carbonyl)propanedinitrile
PubChem CID130992381
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Name2-(4-methylthiophene-2-carbonyl)propanedinitrile
SMILESCc1csc(C(=O)C(C#N)C#N)c1
InChIInChI=1S/C9H6N2OS/c1-6-2-8(13-5-6)9(12)7(3-10)4-11/h2,5,7H,1H3
InChIKeyJHMQVYLQXJSRLL-UHFFFAOYSA-N
XLogP1.90
TPSA64.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-2-(4-fluorophenyl)-1-(4-methylthiophen-2-yl)ethanone
CID 18463545
(4-methylthiophene-2-carbonyl) 4-methylthiophene-2-carboperoxoate
CID 24974935
(4-methylthiophen-2-yl)-[2,3,4-tris(4-methylthiophene-2-carbonyl)cyclobutyl]methanone
CID 101434742
(Z)-3-(dimethylamino)-2-(4-methylthiophene-2-carbonyl)prop-2-enenitrile
CID 67791856
amino 4-methylthiophene-2-carboxylate
CID 175241543
1-(4-methylthiophen-2-yl)prop-2-en-1-one
CID 59450303
4-methyl-2-(3-methylbut-1-en-2-yl)thiophene
CID 126628471
2-[methyl-(4-methylthiophene-2-carbonyl)amino]propanoic acid
CID 110836780
(3-methyl-1,2-thiazol-5-yl)-(4-methylthiophen-2-yl)methanone
CID 130719213
2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)propanedinitrile
CID 79169023
(E)-3-(4-hydroxy-3,5-dimethylphenyl)-1-(4-methylthiophen-2-yl)prop-2-en-1-one
CID 87118334
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
CID 110861467

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophene-2-carbonyl)propanedinitrile?
The IUPAC name of 2-(4-methylthiophene-2-carbonyl)propanedinitrile (CID 130992381) is 2-(4-methylthiophene-2-carbonyl)propanedinitrile.
What is the SMILES notation for 2-(4-methylthiophene-2-carbonyl)propanedinitrile?
The canonical SMILES for 2-(4-methylthiophene-2-carbonyl)propanedinitrile is Cc1csc(C(=O)C(C#N)C#N)c1.
What is the InChIKey of 2-(4-methylthiophene-2-carbonyl)propanedinitrile?
The InChIKey is JHMQVYLQXJSRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c1-6-2-8(13-5-6)9(12)7(3-10)4-11/h2,5,7H,1H3.
What are the key properties of 2-(4-methylthiophene-2-carbonyl)propanedinitrile?
2-(4-methylthiophene-2-carbonyl)propanedinitrile has a molecular weight of 190.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiophene-2-carbonyl)propanedinitrile is sourced from PubChem (CID 130992381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).