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69504-36-5 | Urea,N-1,2-benzisothiazol-3-yl-N'-phenyl-
CAS No: 69504-36-5 Catalog No: AG006C4B MDL No:
Product Description
Catalog Number:
AG006C4B
Chemical Name:
Urea,N-1,2-benzisothiazol-3-yl-N'-phenyl-
CAS Number:
69504-36-5
Molecular Formula:
C14H11N3OS
Molecular Weight:
269.3216
IUPAC Name:
1-(1,2-benzothiazol-3-yl)-3-phenylurea
InChI:
InChI=1S/C14H11N3OS/c18-14(15-10-6-2-1-3-7-10)16-13-11-8-4-5-9-12(11)19-17-13/h1-9H,(H2,15,16,17,18)
InChI Key:
CQJMBFUKIYSERD-UHFFFAOYSA-N
SMILES:
O=C(Nc1nsc2c1cccc2)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:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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