2-Amino-6-methoxybenzothiazole

C₈H₈N₂OSCAS 1747-60-0180.22 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₈H₈N₂OS
Molar mass: 180.22 g/mol
Exact mass: 180.0357 Da
Melting point: 158 °C
Water solubility: < 1 g/L (21.1 °C)
logP: 1.72Crippen estimate
Polar surface area: 48.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed93.9% of notifiers
H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 49 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

1747-60-0

SMILES

COc1ccc2[nH]c(=N)sc2c1

InChIKey

KZHGPDSVHSDCMX-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2OS/c1-11-5-2-3-6-7(4-5)12-8(9)10-6/h2-4H,1H3,(H2,9,10)

Weigh it out

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

Names and synonyms

10 names

2-Benzothiazolamine, 6-methoxy-
Benzothiazole, 2-amino-6-methoxy-
6-Methoxy-2-benzothiazolamine
6-Methoxy-2-aminobenzothiazole
6-Methoxy-1,3-benzothiazol-2-ylamine
NSC 27516
(6-Methoxybenzothiazol-2-yl)amine
6-Methoxybenzo[d]thiazol-2-amine
6-Methoxy-1,3-benzothiazol-2-amine
6-(Methyloxy)-1,3-benzothiazol-2-amine

Work with 2-Amino-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

2-Amino-6-ethoxybenzothiazole94-45-165 % similar 6-Methoxy-2(3H)-benzothiazolone40925-65-364 % similar Riluzole1744-22-561 % similar 2-Amino-6-methylbenzothiazole2536-91-657 % similar 2-Amino-6-bromobenzothiazole15864-32-153 % similar 2-Amino-6-benzothiazolol26278-79-553 % similar 2-Amino-6-fluorobenzothiazole348-40-353 % similar 2-Amino-6-chlorobenzothiazole95-24-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Mercapto-5-methoxybenzimidazole37052-78-1 5-Methoxy-2-benzothiazolamine54346-87-1 4-Methoxy-2-benzothiazolamine5464-79-9 Benzoylthiourea614-23-3

Elsewhere

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