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15601-85-1 | 4H-1,3-Benzothiazin-4-one, 2-amino-
CAS No: 15601-85-1 Catalog No: AG001OGM MDL No:MFCD20542251
Product Description
Catalog Number:
AG001OGM
Chemical Name:
4H-1,3-Benzothiazin-4-one, 2-amino-
CAS Number:
15601-85-1
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD20542251
IUPAC Name:
2-amino-1,3-benzothiazin-4-one
InChI:
InChI=1S/C8H6N2OS/c9-8-10-7(11)5-3-1-2-4-6(5)12-8/h1-4H,(H2,9,10,11)
InChI Key:
YIFFDQCDFYGWIB-UHFFFAOYSA-N
SMILES:
Nc1nc(=O)c2c(s1)cccc2
NSC Number:
104627
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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