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22258-69-1 | 2(3H)-Benzothiazolethione,3-[2-(benzoyloxy)ethyl]-
CAS No: 22258-69-1 Catalog No: AG006Z5K MDL No:
Product Description
Catalog Number:
AG006Z5K
Chemical Name:
2(3H)-Benzothiazolethione,3-[2-(benzoyloxy)ethyl]-
CAS Number:
22258-69-1
Molecular Formula:
C16H13NO2S2
Molecular Weight:
315.4099
IUPAC Name:
2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethyl benzoate
InChI:
InChI=1S/C16H13NO2S2/c18-15(12-6-2-1-3-7-12)19-11-10-17-13-8-4-5-9-14(13)21-16(17)20/h1-9H,10-11H2
InChI Key:
GBNWQUSKWYWHPS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)OCCn1c(=S)sc2c1cccc2
NSC Number:
120042
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.039g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.405g/mol
Monoisotopic Mass:
315.039g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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