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Home > Nitro Compounds > 1835-71-8
1835-71-8 | Benzene, 1,1'-[thiobis(methylene)]bis[4-nitro-
CAS No: 1835-71-8 Catalog No: AG0027N1 MDL No:
Product Description
Catalog Number:
AG0027N1
Chemical Name:
Benzene, 1,1'-[thiobis(methylene)]bis[4-nitro-
CAS Number:
1835-71-8
Molecular Formula:
C14H12N2O4S
Molecular Weight:
304.3211
IUPAC Name:
1-nitro-4-[(4-nitrophenyl)methylsulfanylmethyl]benzene
InChI:
InChI=1S/C14H12N2O4S/c17-15(18)13-5-1-11(2-6-13)9-21-10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2
InChI Key:
GBXDBWABBXCMOL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)CSCc1ccc(cc1)[N+](=O)[O-]
NSC Number:
43066
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.052g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.32g/mol
Monoisotopic Mass:
304.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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