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88976-79-8 | 1,3,4-Thiadiazole-3(2H)-carboxylic acid, 5-(trifluoromethyl)-, hydrazide
CAS No: 88976-79-8 Catalog No: AG00454X MDL No:
Product Description
Catalog Number:
AG00454X
Chemical Name:
1,3,4-Thiadiazole-3(2H)-carboxylic acid, 5-(trifluoromethyl)-, hydrazide
CAS Number:
88976-79-8
Molecular Formula:
C4H5F3N4OS
Molecular Weight:
214.1689
IUPAC Name:
5-(trifluoromethyl)-2H-1,3,4-thiadiazole-3-carbohydrazide
InChI:
InChI=1S/C4H5F3N4OS/c5-4(6,7)2-10-11(1-13-2)3(12)9-8/h1,8H2,(H,9,12)
InChI Key:
IHJORBMTDFSDPF-UHFFFAOYSA-N
SMILES:
NNC(=O)N1CSC(=N1)C(F)(F)F
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.014g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.166g/mol
Monoisotopic Mass:
214.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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