Home Nitriles 3-methyl-2-(thiophene-3-carbonyl)butanenitrile

3-methyl-2-(thiophene-3-carbonyl)butanenitrile

CAS No.:
1250351-55-3
Catalog Number:
AG01C5LI
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
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Product Description
Catalog Number:
AG01C5LI
Chemical Name:
3-methyl-2-(thiophene-3-carbonyl)butanenitrile
CAS Number:
1250351-55-3
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
MDL Number:
MFCD14621508
IUPAC Name:
3-methyl-2-(thiophene-3-carbonyl)butanenitrile
InChI:
InChI=1S/C10H11NOS/c1-7(2)9(5-11)10(12)8-3-4-13-6-8/h3-4,6-7,9H,1-2H3
InChI Key:
KSDDSDKDORRZOE-UHFFFAOYSA-N
SMILES:
N#CC(C(=O)c1cscc1)C(C)C
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties