Home Nitriles 2-amino-5-tert-butylthiophene-3-carbonitrile

2-amino-5-tert-butylthiophene-3-carbonitrile

CAS No.:
612504-40-2
Catalog Number:
AG01AN14
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
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Product Description
Catalog Number:
AG01AN14
Chemical Name:
2-amino-5-tert-butylthiophene-3-carbonitrile
CAS Number:
612504-40-2
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
MDL Number:
MFCD17254972
IUPAC Name:
2-amino-5-tert-butylthiophene-3-carbonitrile
InChI:
InChI=1S/C9H12N2S/c1-9(2,3)7-4-6(5-10)8(11)12-7/h4H,11H2,1-3H3
InChI Key:
KSFAVMVIIZCRFM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(sc1N)C(C)(C)C
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.072g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.269g/mol
Monoisotopic Mass:
180.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties