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17371-99-2 | 2(3H)-Benzoxazolethione, 5-phenyl-
CAS No: 17371-99-2 Catalog No: AG001Z4V MDL No:MFCD00022847
Product Description
Catalog Number:
AG001Z4V
Chemical Name:
2(3H)-Benzoxazolethione, 5-phenyl-
CAS Number:
17371-99-2
Molecular Formula:
C13H9NOS
Molecular Weight:
227.2817
MDL Number:
MFCD00022847
IUPAC Name:
5-phenyl-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C13H9NOS/c16-13-14-11-8-10(6-7-12(11)15-13)9-4-2-1-3-5-9/h1-8H,(H,14,16)
InChI Key:
QKLMWNVNJBXKRG-UHFFFAOYSA-N
SMILES:
S=c1oc2c([nH]1)cc(cc2)c1ccccc1
NSC Number:
93817
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.281g/mol
Monoisotopic Mass:
227.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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