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63870-02-0 | 2-methyl-1,5-benzothiazepin-4(5H)-one
CAS No: 63870-02-0 Catalog No: AG00F6BW MDL No:
Product Description
Catalog Number:
AG00F6BW
Chemical Name:
2-methyl-1,5-benzothiazepin-4(5H)-one
CAS Number:
63870-02-0
IUPAC Name:
2-methyl-5H-1,5-benzothiazepin-4-one
InChI:
InChI=1S/C10H9NOS/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-6H,1H3,(H,11,12)
InChI Key:
XMCREDZXYDRQBF-UHFFFAOYSA-N
EC Number:
264-521-7
UNII:
L97VEW4UQU
NSC Number:
117330
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.248g/mol
Monoisotopic Mass:
191.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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