200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 101913-05-7
101913-05-7 | 2H-Imidazole-2-thione, 1,3-dihydro-1-[(4-methoxy-3-nitrophenyl)methyl]-
CAS No: 101913-05-7 Catalog No: AG0005Y1 MDL No:
Product Description
Catalog Number:
AG0005Y1
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1-[(4-methoxy-3-nitrophenyl)methyl]-
CAS Number:
101913-05-7
Molecular Formula:
C11H11N3O3S
Molecular Weight:
265.2883
IUPAC Name:
3-[(4-methoxy-3-nitrophenyl)methyl]-1H-imidazole-2-thione
InChI:
InChI=1S/C11H11N3O3S/c1-17-10-3-2-8(6-9(10)14(15)16)7-13-5-4-12-11(13)18/h2-6H,7H2,1H3,(H,12,18)
InChI Key:
LUOTUQKLZKNXKW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])Cn1cc[nH]c1=S
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.287g/mol
Monoisotopic Mass:
265.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.