200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 89335-13-7
89335-13-7 | Thiourea, [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-
CAS No: 89335-13-7 Catalog No: AG003ZEN MDL No:
Product Description
Catalog Number:
AG003ZEN
Chemical Name:
Thiourea, [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-
CAS Number:
89335-13-7
Molecular Formula:
C9H7N5O3S
Molecular Weight:
265.2486
IUPAC Name:
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thiourea
InChI:
InChI=1S/C9H7N5O3S/c10-8(18)11-9-13-12-7(17-9)5-1-3-6(4-2-5)14(15)16/h1-4H,(H3,10,11,13,18)
InChI Key:
VJDGWHWZBWYHIP-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1nnc(o1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.027g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.247g/mol
Monoisotopic Mass:
265.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.