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Home > Nitro Compounds > 115735-39-2
115735-39-2 | 1,2,3,4-Thiatriazole, 5-nitro-
CAS No: 115735-39-2 Catalog No: AG000GTH MDL No:
Product Description
Catalog Number:
AG000GTH
Chemical Name:
1,2,3,4-Thiatriazole, 5-nitro-
CAS Number:
115735-39-2
Molecular Formula:
CN4O2S
Molecular Weight:
132.1013
IUPAC Name:
5-nitrothiatriazole
InChI:
InChI=1S/CN4O2S/c6-5(7)1-2-3-4-8-1
InChI Key:
SYMGOLLFWXVBKM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nnns1
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.974g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.097g/mol
Monoisotopic Mass:
131.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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