200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 56913-88-3
56913-88-3 | 3-(4-nitrophenyl)-1-[(pyridin-3-yl)methyl]thiourea
CAS No: 56913-88-3 Catalog No: AG00IXCX MDL No:MFCD01567590
Product Description
Catalog Number:
AG00IXCX
Chemical Name:
3-(4-nitrophenyl)-1-[(pyridin-3-yl)methyl]thiourea
CAS Number:
56913-88-3
Molecular Formula:
C13H12N4O2S
Molecular Weight:
288.3250
MDL Number:
MFCD01567590
IUPAC Name:
1-(4-nitrophenyl)-3-(pyridin-3-ylmethyl)thiourea
InChI:
InChI=1S/C13H12N4O2S/c18-17(19)12-5-3-11(4-6-12)16-13(20)15-9-10-2-1-7-14-8-10/h1-8H,9H2,(H2,15,16,20)
InChI Key:
AWLYIFHQUPAEEM-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cc1)[N+](=O)[O-])NCc1cccnc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.068g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.325g/mol
Monoisotopic Mass:
288.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.