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117174-87-5 | Thiourea, N-(2,4,5-trimethylphenyl)-
CAS No: 117174-87-5 Catalog No: AG000DUS MDL No:MFCD00060438
Product Description
Catalog Number:
AG000DUS
Chemical Name:
Thiourea, N-(2,4,5-trimethylphenyl)-
CAS Number:
117174-87-5
Molecular Formula:
C10H14N2S
Molecular Weight:
194.2966
MDL Number:
MFCD00060438
IUPAC Name:
(2,4,5-trimethylphenyl)thiourea
InChI:
InChI=1S/C10H14N2S/c1-6-4-8(3)9(5-7(6)2)12-10(11)13/h4-5H,1-3H3,(H3,11,12,13)
InChI Key:
QVCQPIJMAAOGKX-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cc(C)c(cc1C)C
NSC Number:
201482
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.088g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.296g/mol
Monoisotopic Mass:
194.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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