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Home Other Building Blocks 6-Benzothiazolemethanol

6-Benzothiazolemethanol

CAS No.:
19989-66-3
Catalog Number:
AG002CF6
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
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Product Description
Catalog Number:
AG002CF6
Chemical Name:
6-Benzothiazolemethanol
CAS Number:
19989-66-3
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD04972625
IUPAC Name:
1,3-benzothiazol-6-ylmethanol
InChI:
InChI=1S/C8H7NOS/c10-4-6-1-2-7-8(3-6)11-5-9-7/h1-3,5,10H,4H2
InChI Key:
OZGXSRLIKDPNMX-UHFFFAOYSA-N
SMILES:
OCc1ccc2c(c1)scn2
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Design and synthesis of pyrrolidine-5,5'-trans-lactams (5-oxo-hexahydropyrrolo[3,2-b]pyrroles) as novel mechanism-based inhibitors of human cytomegalovirus protease. 4. Antiviral activity and plasma stability. Journal of medicinal chemistry 20031009
Properties