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Home > Nitro Compounds > 17050-28-1
17050-28-1 | N-Ethyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide
CAS No: 17050-28-1 Catalog No: AG00HZEB MDL No:MFCD02023214
Product Description
Catalog Number:
AG00HZEB
Chemical Name:
N-Ethyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide
CAS Number:
17050-28-1
Molecular Formula:
C10H12N4O3S
Molecular Weight:
268.2923
MDL Number:
MFCD02023214
IUPAC Name:
1-ethyl-3-[(3-nitrobenzoyl)amino]thiourea
InChI:
InChI=1S/C10H12N4O3S/c1-2-11-10(18)13-12-9(15)7-4-3-5-8(6-7)14(16)17/h3-6H,2H2,1H3,(H,12,15)(H2,11,13,18)
InChI Key:
RBEWWINZSULOOD-UHFFFAOYSA-N
SMILES:
CCNC(=S)NNC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
268.291g/mol
Monoisotopic Mass:
268.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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