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85156-33-8 | 1-Benzoyl-3-(5-methylisoxazole)thiourea
CAS No: 85156-33-8 Catalog No: AG004QRS MDL No:MFCD00126665
Product Description
Catalog Number:
AG004QRS
Chemical Name:
1-Benzoyl-3-(5-methylisoxazole)thiourea
CAS Number:
85156-33-8
Molecular Formula:
C12H11N3O2S
Molecular Weight:
261.2996
MDL Number:
MFCD00126665
IUPAC Name:
N-[(5-methyl-1,2-oxazol-3-yl)carbamothioyl]benzamide
InChI:
InChI=1S/C12H11N3O2S/c1-8-7-10(15-17-8)13-12(18)14-11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16,18)
InChI Key:
APDBKLFXMMKMMJ-UHFFFAOYSA-N
SMILES:
S=C(NC(=O)c1ccccc1)Nc1noc(c1)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.299g/mol
Monoisotopic Mass:
261.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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