(1,3-Benzothiazol-2-yl)methanol

C8H7NOSCAS 37859-42-0165.21 g/mol

Open in Covalent MOL file
NSOH
Alcohol

Properties

Molecular formula
C8H7NOS
Molar mass
165.21 g/mol
Exact mass
165.0248 Da
logP
1.79Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
37859-42-0
SMILES
C1=CC=C2C(=C1)N=C(S2)CO
InChIKey
PQXMQZYDBQBWNL-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NOS/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-4,10H,5H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • 2-Hydroxymethylbenzothiazole

Work with (1,3-Benzothiazol-2-yl)methanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′-Methylenebis[benzothiazole]1945-78-468 % similar 2-(Bromomethyl)-1,3-benzothiazole106086-78-661 % similar 2-(Chloromethyl)benzothiazole37859-43-161 % similar 2-Benzothiazoleacetonitrile56278-50-358 % similar 2-Benzothiazolinone934-34-952 % similar 2-Hydrazinylbenzothiazole615-21-448 % similar 2-Fluorobenzothiazole1123-98-447 % similar 2-Methylbenzothiazole120-75-247 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(Methylthio)phenyl isocyanate1632-84-4 4-Methoxyphenyl isothiocyanate2284-20-0 2-Mercapto-5-methylbenzoxazole22876-22-8 2-Methyl-1,2-benzothiazol-3(2H)-one2527-66-4 3-(Methylthio)phenyl isocyanate28479-19-8 6-Methoxybenzothiazole2942-13-4 1-Isothiocyanato-3-methoxybenzene3125-64-2 2-Methoxyphenyl isothiocyanate3288-04-8

Elsewhere

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