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102589-13-9 | 4(5H)-Thiazolone, 2-[[(2-chlorophenyl)methyl]amino]-
CAS No: 102589-13-9 Catalog No: AG0007V7 MDL No:
Product Description
Catalog Number:
AG0007V7
Chemical Name:
4(5H)-Thiazolone, 2-[[(2-chlorophenyl)methyl]amino]-
CAS Number:
102589-13-9
Molecular Formula:
C10H9ClN2OS
Molecular Weight:
240.7093
IUPAC Name:
2-[(2-chlorophenyl)methylimino]-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H9ClN2OS/c11-8-4-2-1-3-7(8)5-12-10-13-9(14)6-15-10/h1-4H,5-6H2,(H,12,13,14)
InChI Key:
URINVVRPDDSCTN-UHFFFAOYSA-N
SMILES:
O=C1CSC(=N1)NCc1ccccc1Cl
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.705g/mol
Monoisotopic Mass:
240.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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