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89335-07-9 | Thiourea, (3-phenyl-5-isothiazolyl)-
CAS No: 89335-07-9 Catalog No: AG0086RQ MDL No:
Product Description
Catalog Number:
AG0086RQ
Chemical Name:
Thiourea, (3-phenyl-5-isothiazolyl)-
CAS Number:
89335-07-9
Molecular Formula:
C10H9N3S2
Molecular Weight:
235.3286
IUPAC Name:
(3-phenyl-1,2-thiazol-5-yl)thiourea
InChI:
InChI=1S/C10H9N3S2/c11-10(14)12-9-6-8(13-15-9)7-4-2-1-3-5-7/h1-6H,(H3,11,12,14)
InChI Key:
CHZUNLACXMMXDJ-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1snc(c1)c1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.323g/mol
Monoisotopic Mass:
235.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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