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89477-50-9 | Propanimidamide, N-[[(4-chlorophenyl)amino]thioxomethyl]-N'-methyl-
CAS No: 89477-50-9 Catalog No: AG0042HR MDL No:
Product Description
Catalog Number:
AG0042HR
Chemical Name:
Propanimidamide, N-[[(4-chlorophenyl)amino]thioxomethyl]-N'-methyl-
CAS Number:
89477-50-9
Molecular Formula:
C11H14ClN3S
Molecular Weight:
255.7670
IUPAC Name:
1-(4-chlorophenyl)-3-(C-ethyl-N-methylcarbonimidoyl)thiourea
InChI:
InChI=1S/C11H14ClN3S/c1-3-10(13-2)15-11(16)14-9-6-4-8(12)5-7-9/h4-7H,3H2,1-2H3,(H2,13,14,15,16)
InChI Key:
ZZKKYXZUJLUZPT-UHFFFAOYSA-N
SMILES:
CCC(=NC)NC(=S)Nc1ccc(cc1)Cl
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.764g/mol
Monoisotopic Mass:
255.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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