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Home > Nitro Compounds > 869772-70-3
869772-70-3 | 2,4-Thiazolidinedithione, 5-[(2-hydroxy-4-nitrophenyl)azo]-
CAS No: 869772-70-3 Catalog No: AG004KTG MDL No:
Product Description
Catalog Number:
AG004KTG
Chemical Name:
2,4-Thiazolidinedithione, 5-[(2-hydroxy-4-nitrophenyl)azo]-
CAS Number:
869772-70-3
Molecular Formula:
C9H6N4O3S3
Molecular Weight:
314.3639
IUPAC Name:
5-[(2-hydroxy-4-nitrophenyl)diazenyl]-1,3-thiazolidine-2,4-dithione
InChI:
InChI=1S/C9H6N4O3S3/c14-6-3-4(13(15)16)1-2-5(6)11-12-8-7(17)10-9(18)19-8/h1-3,8,14H,(H,10,17,18)
InChI Key:
UHEVAZRJUPUSBG-UHFFFAOYSA-N
SMILES:
S=C1NC(=S)C(S1)N=Nc1ccc(cc1O)[N+](=O)[O-]
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.96g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.352g/mol
Monoisotopic Mass:
313.96g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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