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88778-05-6 | Thiourea, N-(2,6-dimethylphenyl)-N'-[imino(methylamino)methyl]-
CAS No: 88778-05-6 Catalog No: AG004B6U MDL No:
Product Description
Catalog Number:
AG004B6U
Chemical Name:
Thiourea, N-(2,6-dimethylphenyl)-N'-[imino(methylamino)methyl]-
CAS Number:
88778-05-6
Molecular Formula:
C11H16N4S
Molecular Weight:
236.3365
IUPAC Name:
1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)thiourea
InChI:
InChI=1S/C11H16N4S/c1-7-5-4-6-8(2)9(7)14-11(16)15-10(12)13-3/h4-6H,1-3H3,(H4,12,13,14,15,16)
InChI Key:
YBAZMWNSDBDFOL-UHFFFAOYSA-N
SMILES:
CNC(=N)NC(=S)Nc1c(C)cccc1C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
236.337g/mol
Monoisotopic Mass:
236.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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