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88976-88-9 | 4H-1,3,4-Thiadiazine-4-carboxamide, 5,6-dihydro-2-(trifluoromethyl)-
CAS No: 88976-88-9 Catalog No: AG00454V MDL No:
Product Description
Catalog Number:
AG00454V
Chemical Name:
4H-1,3,4-Thiadiazine-4-carboxamide, 5,6-dihydro-2-(trifluoromethyl)-
CAS Number:
88976-88-9
Molecular Formula:
C5H6F3N3OS
Molecular Weight:
213.1808
IUPAC Name:
2-(trifluoromethyl)-5,6-dihydro-1,3,4-thiadiazine-4-carboxamide
InChI:
InChI=1S/C5H6F3N3OS/c6-5(7,8)3-10-11(4(9)12)1-2-13-3/h1-2H2,(H2,9,12)
InChI Key:
QEFWSIWMPPNACM-UHFFFAOYSA-N
SMILES:
NC(=O)N1CCSC(=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:
213.018g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.178g/mol
Monoisotopic Mass:
213.018g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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