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13895-20-0 | Thiourea, N-2-benzoxazolyl-N'-phenyl-
CAS No: 13895-20-0 Catalog No: AG0019X2 MDL No:
Product Description
Catalog Number:
AG0019X2
Chemical Name:
Thiourea, N-2-benzoxazolyl-N'-phenyl-
CAS Number:
13895-20-0
Molecular Formula:
C14H11N3OS
Molecular Weight:
269.3216
IUPAC Name:
1-(1,3-benzoxazol-2-yl)-3-phenylthiourea
InChI:
InChI=1S/C14H11N3OS/c19-14(15-10-6-2-1-3-7-10)17-13-16-11-8-4-5-9-12(11)18-13/h1-9H,(H2,15,16,17,19)
InChI Key:
MQDLLBFTKLQZQM-UHFFFAOYSA-N
SMILES:
S=C(Nc1nc2c(o1)cccc2)Nc1ccccc1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
269.322g/mol
Monoisotopic Mass:
269.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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