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2582-07-2 | benzothiazol-2-ylguanidine
CAS No: 2582-07-2 Catalog No: AG00C510 MDL No:
Product Description
Catalog Number:
AG00C510
Chemical Name:
benzothiazol-2-ylguanidine
CAS Number:
2582-07-2
IUPAC Name:
2-(1,3-benzothiazol-2-yl)guanidine
InChI:
InChI=1S/C8H8N4S/c9-7(10)12-8-11-5-3-1-2-4-6(5)13-8/h1-4H,(H4,9,10,11,12)
InChI Key:
QMHWARSFUCGBJK-UHFFFAOYSA-N
EC Number:
219-955-1
UNII:
W9A9FH54B4
NSC Number:
37475
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.24g/mol
Monoisotopic Mass:
192.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV. | Bioorganic & medicinal chemistry letters 20120715 |
| 2-(1,3-Benzothia-zol-2-yl)guanidinium chloride. | Acta crystallographica. Section E, Structure reports online 20111101 |
| 2-(1,3-Benzoxazol-2-yl)guanidinium chloride. | Acta crystallographica. Section E, Structure reports online 20111101 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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