2-Cyano-6-methoxybenzothiazole

C₉H₆N₂OSCAS 943-03-3190.22 g/mol

Open in Covalent MOL file

Ether Nitrile

Properties

Molecular formula: C₉H₆N₂OS
Molar mass: 190.22 g/mol
Exact mass: 190.0201 Da
logP: 2.18Crippen estimate
Polar surface area: 45.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

943-03-3

SMILES

COC1=CC2=C(C=C1)N=C(S2)C#N

InChIKey

DEWDWBYQOFXKIH-UHFFFAOYSA-N

InChI

InChI=1S/C9H6N2OS/c1-12-6-2-3-7-8(4-6)13-9(5-10)11-7/h2-4H,1H3

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Names and synonyms

1 names

2-Cyano-6-methoxy benzothiazole

Work with 2-Cyano-6-methoxybenzothiazole

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

6-Methoxy-2-methylbenzothiazole2941-72-259 % similar 2-Cyano-6-hydroxybenzothiazole939-69-559 % similar 2-Chloro-6-methoxybenzothiazole2605-14-357 % similar 2-Bromo-6-methoxy-1,3-benzothiazole2941-58-457 % similar 6-Amino-1,3-benzothiazole-2-carbonitrile7724-12-157 % similar 6-Methoxybenzothiazole2942-13-446 % similar Frentizole26130-02-946 % similar 5-Methoxy-2-methylbenzothiazole2941-69-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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