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Home > Nitro Compounds > 78205-33-1
78205-33-1 | 5,6-DIHYDRO-3-(5-NITRO-2-FURANYL)THIAZOLO(2,3-C)-1,2,4-TRIAZOLE
CAS No: 78205-33-1 Catalog No: AG005D0J MDL No:
Product Description
Catalog Number:
AG005D0J
Chemical Name:
5,6-DIHYDRO-3-(5-NITRO-2-FURANYL)THIAZOLO(2,3-C)-1,2,4-TRIAZOLE
CAS Number:
78205-33-1
Molecular Formula:
C8H6N4O3S
Molecular Weight:
238.2232
IUPAC Name:
3-(5-nitrofuran-2-yl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
InChI:
InChI=1S/C8H6N4O3S/c13-12(14)6-2-1-5(15-6)7-9-10-8-11(7)3-4-16-8/h1-2H,3-4H2
InChI Key:
VGRYHUFYPGUZIV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)c1nnc2n1CCS2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.016g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.221g/mol
Monoisotopic Mass:
238.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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