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101042-87-9 | Urea, N-(3-chlorophenyl)-N'-(3-methyl-2-thiazolidinylidene)-
CAS No: 101042-87-9 Catalog No: AG0003M8 MDL No:
Product Description
Catalog Number:
AG0003M8
Chemical Name:
Urea, N-(3-chlorophenyl)-N'-(3-methyl-2-thiazolidinylidene)-
CAS Number:
101042-87-9
Molecular Formula:
C11H12ClN3OS
Molecular Weight:
269.7505
IUPAC Name:
1-(3-chlorophenyl)-3-(3-methyl-1,3-thiazolidin-2-ylidene)urea
InChI:
InChI=1S/C11H12ClN3OS/c1-15-5-6-17-11(15)14-10(16)13-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H,13,16)
InChI Key:
NAIYZHOZZGJYCG-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)NC(=O)N=C1SCCN1C
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.747g/mol
Monoisotopic Mass:
269.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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