2-Aminobenzothiazole

C₇H₆N₂SCAS 136-95-8150.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆N₂S
Molar mass: 150.20 g/mol
Exact mass: 150.0252 Da
Density: 0.5 g/mL
Melting point: 132 °C
Boiling point: 190–195 °C (at 0.05 Torr)
Water solubility: < 1 g/L (18.9 °C)
logP: 1.71Crippen estimate
Polar surface area: 39.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.1% of notifiers
H319 Causes serious eye irritation79.6% of notifiers
H400 Very toxic to aquatic life17.5% of notifiers
H410 Very toxic to aquatic life with long lasting effects17.5% of notifiers

Aggregated from 103 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, P501

Identifiers

CAS number

136-95-8

SMILES

N=c1[nH]c2ccccc2s1

InChIKey

UHGULLIUJBCTEF-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)

Weigh it out

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

Names and synonyms

16 names · show all

2-Benzothiazolamine
Benzothiazole, 2-amino-
Benzothiazole, 1-amino-
Benzothiazoline, 2-imino-
2(3H)-Benzothiazolimine
2-Benzothiazolylamine
2-Iminobenzothiazoline
1,3-Benzothiazol-2-ylamine
NSC 4670
Benzo[d]thiazol-2-amine
2-Aminobenzo[d]thiazole
ABT
SKA 1
1,3-Benzothiazol-2-amine
Cerium ionophore I
Benzo(d)thiazol-2-amine

Work with 2-Aminobenzothiazole

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

5-Methyl-2-benzothiazolamine14779-17-052 % similar 2-Amino-6-bromobenzothiazole15864-32-152 % similar 2-Amino-4-chlorobenzothiazole19952-47-752 % similar 5-Chloro-2-benzothiazolamine20358-00-352 % similar 4-Bromo-1,3-benzothiazol-2-amine20358-02-552 % similar 5-Bromo-1,3-benzothiazol-2-amine20358-03-652 % similar 2-Amino-6-methylbenzothiazole2536-91-652 % similar 2-Amino-6-benzothiazolol26278-79-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Benzothiazol-5-amine1123-93-9 4-Isothiocyanatobenzenamine15191-25-0 3-(2-Thienyl)-1H-pyrazole19933-24-5 [(4-Aminophenyl)sulfanyl]formonitrile2987-46-4 6-Benzothiazolamine533-30-2 Mercaptobenzimidazole583-39-1

Elsewhere

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