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20174-70-3 | Benzothiazole, 2-hydrazinyl-6-methoxy-
CAS No: 20174-70-3 Catalog No: AG0027T5 MDL No:MFCD01439956
Product Description
Catalog Number:
AG0027T5
Chemical Name:
Benzothiazole, 2-hydrazinyl-6-methoxy-
CAS Number:
20174-70-3
Molecular Formula:
C8H9N3OS
Molecular Weight:
195.2416
MDL Number:
MFCD01439956
IUPAC Name:
(6-methoxy-1,3-benzothiazol-2-yl)hydrazine
InChI:
InChI=1S/C8H9N3OS/c1-12-5-2-3-6-7(4-5)13-8(10-6)11-9/h2-4H,9H2,1H3,(H,10,11)
InChI Key:
QAMZBKMFWQSHDV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(n2)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:
2.3
Literature
| Title | Journal |
|---|---|
| Pharmacological evaluation and characterizations of newly synthesized 1,2,4-triazoles. | European journal of medicinal chemistry 20100901 |
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