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144018-67-7 | Carbamimidothioic acid, N-nitro-, 2,2,2-trifluoroethyl ester
CAS No: 144018-67-7 Catalog No: AG001IS8 MDL No:
Product Description
Catalog Number:
AG001IS8
Chemical Name:
Carbamimidothioic acid, N-nitro-, 2,2,2-trifluoroethyl ester
CAS Number:
144018-67-7
Molecular Formula:
C3H4F3N3O2S
Molecular Weight:
203.1430
IUPAC Name:
2,2,2-trifluoroethyl N-nitrocarbamimidothioate
InChI:
InChI=1S/C3H4F3N3O2S/c4-3(5,6)1-12-2(7)8-9(10)11/h1H2,(H2,7,8)
InChI Key:
GNGZLVLOVBJUQV-UHFFFAOYSA-N
SMILES:
N=C(N[N+](=O)[O-])SCC(F)(F)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.998g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.139g/mol
Monoisotopic Mass:
202.998g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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