200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 13755-68-5
13755-68-5 | 1H-Imidazole, 5,5'-thiobis[1-methyl-4-nitro- (9CI)
CAS No: 13755-68-5 Catalog No: AG0013K0 MDL No:
Product Description
Catalog Number:
AG0013K0
Chemical Name:
1H-Imidazole, 5,5'-thiobis[1-methyl-4-nitro- (9CI)
CAS Number:
13755-68-5
Molecular Formula:
C8H8N6O4S
Molecular Weight:
284.2519
IUPAC Name:
1-methyl-5-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-4-nitroimidazole
InChI:
InChI=1S/C8H8N6O4S/c1-11-3-9-5(13(15)16)7(11)19-8-6(14(17)18)10-4-12(8)2/h3-4H,1-2H3
InChI Key:
CESYRHOMAKZIQW-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1Sc1n(C)cnc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
138281
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.033g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.25g/mol
Monoisotopic Mass:
284.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
153A^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.