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16667-04-2 | Hydrazinecarbothioamide, N-(2-ethylphenyl)-
CAS No: 16667-04-2 Catalog No: AG001WVZ MDL No:MFCD00041282
Product Description
Catalog Number:
AG001WVZ
Chemical Name:
Hydrazinecarbothioamide, N-(2-ethylphenyl)-
CAS Number:
16667-04-2
Molecular Formula:
C9H13N3S
Molecular Weight:
195.2846
MDL Number:
MFCD00041282
IUPAC Name:
1-amino-3-(2-ethylphenyl)thiourea
InChI:
InChI=1S/C9H13N3S/c1-2-7-5-3-4-6-8(7)11-9(13)12-10/h3-6H,2,10H2,1H3,(H2,11,12,13)
InChI Key:
CVYAVYZOGZJQHT-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccccc1CC
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.083g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.284g/mol
Monoisotopic Mass:
195.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Literature
| Title | Journal |
|---|---|
| 4-(2-Ethyl-phen-yl)-1-(2-oxoindolin-3-yl-idene)thio-semicarbazide. | Acta crystallographica. Section E, Structure reports online 20100701 |
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