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53065-23-9 | 2(3H)-Benzothiazolone,4-methoxy-,hydrazone(9CI)
CAS No: 53065-23-9 Catalog No: AG00DBY2 MDL No:MFCD04448795
Product Description
Catalog Number:
AG00DBY2
Chemical Name:
2(3H)-Benzothiazolone,4-methoxy-,hydrazone(9CI)
CAS Number:
53065-23-9
Molecular Formula:
C8H9N3OS
Molecular Weight:
195.2416
MDL Number:
MFCD04448795
IUPAC Name:
(4-methoxy-1,3-benzothiazol-2-yl)hydrazine
InChI:
InChI=1S/C8H9N3OS/c1-12-5-3-2-4-6-7(5)10-8(11-9)13-6/h2-4H,9H2,1H3,(H,10,11)
InChI Key:
CSTCVTVRTJAYAR-UHFFFAOYSA-N
SMILES:
COc1cccc2c1nc(s2)NN
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.24g/mol
Monoisotopic Mass:
195.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.4A^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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