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Home > Nitro Compounds > 292644-28-1
292644-28-1 | N-Methyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide
CAS No: 292644-28-1 Catalog No: AG00I5F8 MDL No:MFCD02063065
Product Description
Catalog Number:
AG00I5F8
Chemical Name:
N-Methyl-2-(3-nitrobenzoyl)hydrazinecarbothioamide
CAS Number:
292644-28-1
Molecular Formula:
C9H10N4O3S
Molecular Weight:
254.2657
MDL Number:
MFCD02063065
IUPAC Name:
1-methyl-3-[(3-nitrobenzoyl)amino]thiourea
InChI:
InChI=1S/C9H10N4O3S/c1-10-9(17)12-11-8(14)6-3-2-4-7(5-6)13(15)16/h2-5H,1H3,(H,11,14)(H2,10,12,17)
InChI Key:
MEZRGMOKHOUUSI-UHFFFAOYSA-N
SMILES:
CNC(=S)NNC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.047g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.264g/mol
Monoisotopic Mass:
254.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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