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25480-78-8 | Thiourea, N,N'-bis(2,6-dimethylphenyl)-
CAS No: 25480-78-8 Catalog No: AG00360P MDL No:
Product Description
Catalog Number:
AG00360P
Chemical Name:
Thiourea, N,N'-bis(2,6-dimethylphenyl)-
CAS Number:
25480-78-8
Molecular Formula:
C17H20N2S
Molecular Weight:
284.4191
IUPAC Name:
1,3-bis(2,6-dimethylphenyl)thiourea
InChI:
InChI=1S/C17H20N2S/c1-11-7-5-8-12(2)15(11)18-17(20)19-16-13(3)9-6-10-14(16)4/h5-10H,1-4H3,(H2,18,19,20)
InChI Key:
GNNANCVWBKKTDL-UHFFFAOYSA-N
SMILES:
S=C(Nc1c(C)cccc1C)Nc1c(C)cccc1C
UNII:
MMB4TBT970
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.135g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.421g/mol
Monoisotopic Mass:
284.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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