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114794-40-0 | Ethanethioamide, 2-[(aminocarbonyl)amino]-2-cyano-
CAS No: 114794-40-0 Catalog No: AG000F89 MDL No:
Product Description
Catalog Number:
AG000F89
Chemical Name:
Ethanethioamide, 2-[(aminocarbonyl)amino]-2-cyano-
CAS Number:
114794-40-0
Molecular Formula:
C4H6N4OS
Molecular Weight:
158.1816
IUPAC Name:
(2-amino-1-cyano-2-sulfanylideneethyl)urea
InChI:
InChI=1S/C4H6N4OS/c5-1-2(3(6)10)8-4(7)9/h2H,(H2,6,10)(H3,7,8,9)
InChI Key:
BAUWZFZLPQXGPT-UHFFFAOYSA-N
SMILES:
N#CC(C(=S)N)NC(=O)N
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.026g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
158.179g/mol
Monoisotopic Mass:
158.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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