CAS 37859-42-0 | 2-Hydroxymethylbenzothiazole | CAS Number 37859-42-0

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37859-42-0 | 2-Hydroxymethylbenzothiazole

CAS No: 37859-42-0 Catalog No: AG00BXM9 MDL No:MFCD00226293

Product Description

Catalog Number:

AG00BXM9

Chemical Name:

2-Hydroxymethylbenzothiazole

CAS Number:

37859-42-0

Molecular Formula:

C8H7NOS

Molecular Weight:

165.2123

MDL Number:

MFCD00226293

IUPAC Name:

1,3-benzothiazol-2-ylmethanol

InChI:

InChI=1S/C8H7NOS/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-4,10H,5H2

InChI Key:

PQXMQZYDBQBWNL-UHFFFAOYSA-N

SMILES:

OCc1nc2c(s1)cccc2

NSC Number:

108227

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:

1.7

Literature

Title	Journal
Creating an antibacterial with in vivo efficacy: synthesis and characterization of potent inhibitors of the bacterial cell division protein FtsZ with improved pharmaceutical properties.	Journal of medicinal chemistry 20100527
Design and synthesis of novel inhibitors of gelatinase B.	Bioorganic & medicinal chemistry letters 20020819