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88326-76-5 | Ethanimidothioic acid, 2,2,2-trifluoro-N-hydroxy-, butyl ester, (Z)-
CAS No: 88326-76-5 Catalog No: AG0048BD MDL No:
Product Description
Catalog Number:
AG0048BD
Chemical Name:
Ethanimidothioic acid, 2,2,2-trifluoro-N-hydroxy-, butyl ester, (Z)-
CAS Number:
88326-76-5
Molecular Formula:
C6H10F3NOS
Molecular Weight:
201.2099
IUPAC Name:
butyl 2,2,2-trifluoro-N-hydroxyethanimidothioate
InChI:
InChI=1S/C6H10F3NOS/c1-2-3-4-12-5(10-11)6(7,8)9/h11H,2-4H2,1H3
InChI Key:
BMSOQWFTHSEKSE-UHFFFAOYSA-N
SMILES:
CCCCS/C(=N\O)/C(F)(F)F
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.207g/mol
Monoisotopic Mass:
201.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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