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Home > Nitro Compounds > 26621-37-4
26621-37-4 | 1,3,4-Thiadiazole, 2-methyl-5-nitro-
CAS No: 26621-37-4 Catalog No: AG002TUT MDL No:MFCD00500135
Product Description
Catalog Number:
AG002TUT
Chemical Name:
1,3,4-Thiadiazole, 2-methyl-5-nitro-
CAS Number:
26621-37-4
Molecular Formula:
C3H3N3O2S
Molecular Weight:
145.1398
MDL Number:
MFCD00500135
IUPAC Name:
2-methyl-5-nitro-1,3,4-thiadiazole
InChI:
InChI=1S/C3H3N3O2S/c1-2-4-5-3(9-2)6(7)8/h1H3
InChI Key:
KGKVEVRIPDSTOO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nnc(s1)C
NSC Number:
94848
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.995g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.136g/mol
Monoisotopic Mass:
144.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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