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88778-06-7 | Thiourea, N-(2,6-diethylphenyl)-N'-[imino(methylamino)methyl]-
CAS No: 88778-06-7 Catalog No: AG004B2A MDL No:
Product Description
Catalog Number:
AG004B2A
Chemical Name:
Thiourea, N-(2,6-diethylphenyl)-N'-[imino(methylamino)methyl]-
CAS Number:
88778-06-7
Molecular Formula:
C13H20N4S
Molecular Weight:
264.3897
IUPAC Name:
1-(2,6-diethylphenyl)-3-(N'-methylcarbamimidoyl)thiourea
InChI:
InChI=1S/C13H20N4S/c1-4-9-7-6-8-10(5-2)11(9)16-13(18)17-12(14)15-3/h6-8H,4-5H2,1-3H3,(H4,14,15,16,17,18)
InChI Key:
QSQDANOOXWCLRP-UHFFFAOYSA-N
SMILES:
CNC(=N)NC(=S)Nc1c(CC)cccc1CC
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.141g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.391g/mol
Monoisotopic Mass:
264.141g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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