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137-97-3 | Thiourea, N,N'-bis(2-methylphenyl)-
CAS No: 137-97-3 Catalog No: AG0012P2 MDL No:MFCD00025922
Product Description
Catalog Number:
AG0012P2
Chemical Name:
Thiourea, N,N'-bis(2-methylphenyl)-
CAS Number:
137-97-3
Molecular Formula:
C15H16N2S
Molecular Weight:
256.3659
MDL Number:
MFCD00025922
IUPAC Name:
1,3-bis(2-methylphenyl)thiourea
InChI:
InChI=1S/C15H16N2S/c1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,17,18)
InChI Key:
KWPNNZKRAQDVPZ-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1C)Nc1ccccc1C
EC Number:
205-309-6
UNII:
E9V2MKK2NZ
RTECS Number:
FE0700000
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.103g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.367g/mol
Monoisotopic Mass:
256.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| 1,3-Bis(2-meth-oxy-phen-yl)thio-urea. | Acta crystallographica. Section E, Structure reports online 20111101 |
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