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709037-98-9 | 2(3H)-BENZOXAZOLETHIONE, 3-ETHYL-5-PHENYL-
CAS No: 709037-98-9 Catalog No: AG005FOG MDL No:
Product Description
Catalog Number:
AG005FOG
Chemical Name:
2(3H)-BENZOXAZOLETHIONE, 3-ETHYL-5-PHENYL-
CAS Number:
709037-98-9
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
IUPAC Name:
3-ethyl-5-phenyl-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C15H13NOS/c1-2-16-13-10-12(11-6-4-3-5-7-11)8-9-14(13)17-15(16)18/h3-10H,2H2,1H3
InChI Key:
UIFAUZYNMSOKGT-UHFFFAOYSA-N
SMILES:
CCn1c(=S)oc2c1cc(cc2)c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.335g/mol
Monoisotopic Mass:
255.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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