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16738-20-8 | Thiourea, N-(2,4-dimethylphenyl)-
CAS No: 16738-20-8 Catalog No: AG001XC1 MDL No:MFCD00041164
Product Description
Catalog Number:
AG001XC1
Chemical Name:
Thiourea, N-(2,4-dimethylphenyl)-
CAS Number:
16738-20-8
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
MDL Number:
MFCD00041164
IUPAC Name:
(2,4-dimethylphenyl)thiourea
InChI:
InChI=1S/C9H12N2S/c1-6-3-4-8(7(2)5-6)11-9(10)12/h3-5H,1-2H3,(H3,10,11,12)
InChI Key:
KAGLPYRXTCQWHU-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(cc1C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
180.269g/mol
Monoisotopic Mass:
180.072g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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