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89652-18-6 | Thiourea, N-(4,5-dihydro-4-phenyl-2-thiazolyl)-N'-phenyl-
CAS No: 89652-18-6 Catalog No: AG0088U0 MDL No:
Product Description
Catalog Number:
AG0088U0
Chemical Name:
Thiourea, N-(4,5-dihydro-4-phenyl-2-thiazolyl)-N'-phenyl-
CAS Number:
89652-18-6
Molecular Formula:
C16H15N3S2
Molecular Weight:
313.4404
IUPAC Name:
1-phenyl-3-(4-phenyl-4,5-dihydro-1,3-thiazol-2-yl)thiourea
InChI:
InChI=1S/C16H15N3S2/c20-15(17-13-9-5-2-6-10-13)19-16-18-14(11-21-16)12-7-3-1-4-8-12/h1-10,14H,11H2,(H2,17,18,19,20)
InChI Key:
BZKRKYKKWXYOIZ-UHFFFAOYSA-N
SMILES:
S=C(NC1=NC(CS1)c1ccccc1)Nc1ccccc1
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.071g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.437g/mol
Monoisotopic Mass:
313.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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