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854107-48-5 | 4-Thiazolidinone, 3-phenyl-2-(propylimino)-, (2Z)-
CAS No: 854107-48-5 Catalog No: AG00IM5Z MDL No:
Product Description
Catalog Number:
AG00IM5Z
Chemical Name:
4-Thiazolidinone, 3-phenyl-2-(propylimino)-, (2Z)-
CAS Number:
854107-48-5
Molecular Formula:
C12H14N2OS
Molecular Weight:
234.3174
IUPAC Name:
3-phenyl-2-propylimino-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H14N2OS/c1-2-8-13-12-14(11(15)9-16-12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
TXKYJCYKCWRQQX-UHFFFAOYSA-N
SMILES:
CCC/N=C/1\SCC(=O)N1c1ccccc1
NSC Number:
710594
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.317g/mol
Monoisotopic Mass:
234.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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