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Home > Nitro Compounds > 113575-78-3
113575-78-3 | Hydrazinecarbothioamide, N-(2-methyl-2-propen-1-yl)-2-(4-nitrophenyl)-
CAS No: 113575-78-3 Catalog No: AG00091E MDL No:
Product Description
Catalog Number:
AG00091E
Chemical Name:
Hydrazinecarbothioamide, N-(2-methyl-2-propen-1-yl)-2-(4-nitrophenyl)-
CAS Number:
113575-78-3
Molecular Formula:
C11H14N4O2S
Molecular Weight:
266.3195
IUPAC Name:
1-(2-methylprop-2-enyl)-3-(4-nitroanilino)thiourea
InChI:
InChI=1S/C11H14N4O2S/c1-8(2)7-12-11(18)14-13-9-3-5-10(6-4-9)15(16)17/h3-6,13H,1,7H2,2H3,(H2,12,14,18)
InChI Key:
ZKSKXCDPOOMVKQ-UHFFFAOYSA-N
SMILES:
S=C(NNc1ccc(cc1)[N+](=O)[O-])NCC(=C)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.319g/mol
Monoisotopic Mass:
266.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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