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Home > Nitro Compounds > 328263-28-1
328263-28-1 | N'-[(1E)-(4-{[(furan-2-yl)methyl]sulfanyl}-3-nitrophenyl)methylidene]thiophene-2-carbohydrazide
CAS No: 328263-28-1 Catalog No: AG00ISUO MDL No:MFCD00169717
Product Description
Catalog Number:
AG00ISUO
Chemical Name:
N'-[(1E)-(4-{[(furan-2-yl)methyl]sulfanyl}-3-nitrophenyl)methylidene]thiophene-2-carbohydrazide
CAS Number:
328263-28-1
Molecular Formula:
C17H13N3O4S2
Molecular Weight:
387.4328
MDL Number:
MFCD00169717
IUPAC Name:
N-[[4-(furan-2-ylmethylsulfanyl)-3-nitrophenyl]methylideneamino]thiophene-2-carboxamide
InChI:
InChI=1S/C17H13N3O4S2/c21-17(16-4-2-8-25-16)19-18-10-12-5-6-15(14(9-12)20(22)23)26-11-13-3-1-7-24-13/h1-10H,11H2,(H,19,21)
InChI Key:
OFURPFPSQIMYTR-UHFFFAOYSA-N
SMILES:
O=C(c1cccs1)N/N=C/c1ccc(c(c1)[N+](=O)[O-])SCc1ccco1
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.035g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.428g/mol
Monoisotopic Mass:
387.035g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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