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144870-66-6

144870-66-6 | Ethanethioamide, 2-cyano-2-[2-(4-methoxyphenyl)hydrazinylidene]-

CAS No: 144870-66-6 Catalog No: AG001K95 MDL No:

Product Description

Catalog Number:
AG001K95
Chemical Name:
Ethanethioamide, 2-cyano-2-[2-(4-methoxyphenyl)hydrazinylidene]-
CAS Number:
144870-66-6
Molecular Formula:
C10H10N4OS
Molecular Weight:
234.2776
IUPAC Name:
2-amino-N-(4-methoxyanilino)-2-sulfanylideneethanimidoyl cyanide
InChI:
InChI=1S/C10H10N4OS/c1-15-8-4-2-7(3-5-8)13-14-9(6-11)10(12)16/h2-5,13H,1H3,(H2,12,16)
InChI Key:
GBUWOXUWWMIRBA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NN=C(C(=S)N)C#N

Properties

Complexity:
325  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.058g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
234.277g/mol
Monoisotopic Mass:
234.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.4  

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