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88551-99-9 | 3-Pentene-2-thione,5,5,5-trifluoro-4-hydroxy-
CAS No: 88551-99-9 Catalog No: AG004CPK MDL No:
Product Description
Catalog Number:
AG004CPK
Chemical Name:
3-Pentene-2-thione,5,5,5-trifluoro-4-hydroxy-
CAS Number:
88551-99-9
Molecular Formula:
C5H5F3OS
Molecular Weight:
170.1528
IUPAC Name:
1,1,1-trifluoro-4-sulfanylpent-3-en-2-one
InChI:
InChI=1S/C5H5F3OS/c1-3(10)2-4(9)5(6,7)8/h2,10H,1H3
InChI Key:
RCKPNIPOQOBBDS-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)/C=C(\S)/C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.001g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.149g/mol
Monoisotopic Mass:
170.001g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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