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82986-00-3 | Ethanimidothioic acid, 2,2,2-trifluoro-N-hydroxy-, propyl ester, (Z)-
CAS No: 82986-00-3 Catalog No: AG005DT0 MDL No:
Product Description
Catalog Number:
AG005DT0
Chemical Name:
Ethanimidothioic acid, 2,2,2-trifluoro-N-hydroxy-, propyl ester, (Z)-
CAS Number:
82986-00-3
Molecular Formula:
C5H8F3NOS
Molecular Weight:
187.1833
IUPAC Name:
propyl 2,2,2-trifluoro-N-hydroxyethanimidothioate
InChI:
InChI=1S/C5H8F3NOS/c1-2-3-11-4(9-10)5(6,7)8/h10H,2-3H2,1H3
InChI Key:
FHAZOTCBOGRSNW-UHFFFAOYSA-N
SMILES:
CCCS/C(=N\O)/C(F)(F)F
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.18g/mol
Monoisotopic Mass:
187.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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