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24545-07-1 | 2H-1,4-Benzothiazin-3(4H)-one, 2-(phenylmethylene)-
CAS No: 24545-07-1 Catalog No: AG002OIA MDL No:
Product Description
Catalog Number:
AG002OIA
Chemical Name:
2H-1,4-Benzothiazin-3(4H)-one, 2-(phenylmethylene)-
CAS Number:
24545-07-1
Molecular Formula:
C15H11NOS
Molecular Weight:
253.3189
IUPAC Name:
2-benzylidene-4H-1,4-benzothiazin-3-one
InChI:
InChI=1S/C15H11NOS/c17-15-14(10-11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-15/h1-10H,(H,16,17)
InChI Key:
DOQUSBFMNDTPGT-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2sc1=Cc1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.319g/mol
Monoisotopic Mass:
253.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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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