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681030-37-5 | 2-Thiazolidinone, 3-(1Z)-1,3-butadienyl-4-phenyl-, (4S)-
CAS No: 681030-37-5 Catalog No: AG00605Q MDL No:
Product Description
Catalog Number:
AG00605Q
Chemical Name:
2-Thiazolidinone, 3-(1Z)-1,3-butadienyl-4-phenyl-, (4S)-
CAS Number:
681030-37-5
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
IUPAC Name:
(4S)-3-buta-1,3-dienyl-4-phenyl-1,3-thiazolidin-2-one
InChI:
InChI=1S/C13H13NOS/c1-2-3-9-14-12(10-16-13(14)15)11-7-5-4-6-8-11/h2-9,12H,1,10H2/t12-/m1/s1
InChI Key:
QIWRNMAITBKFHM-GFCCVEGCSA-N
SMILES:
C=C/C=C\N1C(=O)SC[C@@H]1c1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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