Home Aminos 2-Butenethioamide, 3-amino-2-cyano-, (2E)-

2-Butenethioamide, 3-amino-2-cyano-, (2E)-

CAS No.:
758721-53-8
Catalog Number:
AG01BHR4
Molecular Formula:
C5H7N3S
Molecular Weight:
141.1942
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Product Description
Catalog Number:
AG01BHR4
Chemical Name:
2-Butenethioamide, 3-amino-2-cyano-, (2E)-
CAS Number:
758721-53-8
Molecular Formula:
C5H7N3S
Molecular Weight:
141.1942
MDL Number:
MFCD19204632
IUPAC Name:
(E)-3-amino-2-cyanobut-2-enethioamide
InChI:
InChI=1S/C5H7N3S/c1-3(7)4(2-6)5(8)9/h7H2,1H3,(H2,8,9)/b4-3+
InChI Key:
JQWNLZOXXAMQLU-ONEGZZNKSA-N
SMILES:
N#CC(=C(N)C)C(=S)N
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
141.036g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
141.192g/mol
Monoisotopic Mass:
141.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties