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138615-91-5 | Phenol, 2-[4-ethyl-4,5-dihydro-5-(phenylimino)-1,3,4-thiadiazol-2-yl]-
CAS No: 138615-91-5 Catalog No: AG0018VJ MDL No:
Product Description
Catalog Number:
AG0018VJ
Chemical Name:
Phenol, 2-[4-ethyl-4,5-dihydro-5-(phenylimino)-1,3,4-thiadiazol-2-yl]-
CAS Number:
138615-91-5
Molecular Formula:
C16H15N3OS
Molecular Weight:
297.3748
IUPAC Name:
2-(4-ethyl-5-phenylimino-1,3,4-thiadiazol-2-yl)phenol
InChI:
InChI=1S/C16H15N3OS/c1-2-19-16(17-12-8-4-3-5-9-12)21-15(18-19)13-10-6-7-11-14(13)20/h3-11,20H,2H2,1H3
InChI Key:
FWRQBQYNQVQRLF-UHFFFAOYSA-N
SMILES:
CCn1nc(sc1=Nc1ccccc1)c1ccccc1O
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.376g/mol
Monoisotopic Mass:
297.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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