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Home > Nitro Compounds > 7402-85-9
7402-85-9 | 1,4-DITHIIN, 2,5-DINITRO-3,6-DIPHENYL-
CAS No: 7402-85-9 Catalog No: AG005UBX MDL No:
Product Description
Catalog Number:
AG005UBX
Chemical Name:
1,4-DITHIIN, 2,5-DINITRO-3,6-DIPHENYL-
CAS Number:
7402-85-9
Molecular Formula:
C16H10N2O4S2
Molecular Weight:
358.3916
IUPAC Name:
2,5-dinitro-3,6-diphenyl-1,4-dithiine
InChI:
InChI=1S/C16H10N2O4S2/c19-17(20)15-13(11-7-3-1-4-8-11)23-16(18(21)22)14(24-15)12-9-5-2-6-10-12/h1-10H
InChI Key:
WOGCYZTZJIAEQP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1=C(SC(=C(S1)c1ccccc1)[N+](=O)[O-])c1ccccc1
NSC Number:
400327
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.008g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.386g/mol
Monoisotopic Mass:
358.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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