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116205-05-1 | 2-Pentenethioic acid, S-phenyl ester, (2E)-
CAS No: 116205-05-1 Catalog No: AG000BW8 MDL No:
Product Description
Catalog Number:
AG000BW8
Chemical Name:
2-Pentenethioic acid, S-phenyl ester, (2E)-
CAS Number:
116205-05-1
Molecular Formula:
C11H12OS
Molecular Weight:
192.2774
IUPAC Name:
S-phenyl pent-2-enethioate
InChI:
InChI=1S/C11H12OS/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h3-9H,2H2,1H3
InChI Key:
HXQLISWLKWSPTP-UHFFFAOYSA-N
SMILES:
CC/C=C/C(=O)Sc1ccccc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.061g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.276g/mol
Monoisotopic Mass:
192.061g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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