Home Nitriles 5-[(methylamino)methyl]thiophene-3-carbonitrile

5-[(methylamino)methyl]thiophene-3-carbonitrile

CAS No.:
1501598-11-3
Catalog Number:
AG01BJFV
Molecular Formula:
C7H8N2S
Molecular Weight:
152.2168
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Product Description
Catalog Number:
AG01BJFV
Chemical Name:
5-[(methylamino)methyl]thiophene-3-carbonitrile
CAS Number:
1501598-11-3
Molecular Formula:
C7H8N2S
Molecular Weight:
152.2168
MDL Number:
MFCD21949954
IUPAC Name:
5-(methylaminomethyl)thiophene-3-carbonitrile
InChI:
InChI=1S/C7H8N2S/c1-9-4-7-2-6(3-8)5-10-7/h2,5,9H,4H2,1H3
InChI Key:
QKKWDSKROVKXIO-UHFFFAOYSA-N
SMILES:
CNCc1cc(cs1)C#N
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.041g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.215g/mol
Monoisotopic Mass:
152.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties