CAS 19989-66-3 | 6-Benzothiazolemethanol | CAS Number 19989-66-3

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19989-66-3 | 6-Benzothiazolemethanol

CAS No: 19989-66-3 Catalog No: AG002CF6 MDL No:MFCD04972625

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

165.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

165.21g/mol

Monoisotopic Mass:

165.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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