Benzothiazol-5-amine

C₇H₆N₂SCAS 1123-93-9150.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆N₂S
Molar mass: 150.20 g/mol
Exact mass: 150.0252 Da
logP: 1.88Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled10% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin70% of notifiers
H315 Causes skin irritation90% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled80% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 10 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

1123-93-9

SMILES

Nc1ccc2scnc2c1

InChIKey

UJZYHMZRXGNDFB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

5-Benzothiazolamine
Benzothiazole, 5-amino-
5-Aminobenzothiazole
NSC 170655
1,3-Benzothiazol-5-amine
Benzo[d]thiazol-5-amine

Work with Benzothiazol-5-amine

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-Bromobenzothiazole768-11-655 % similar Benzothiazole95-16-948 % similar 6-Aminoquinoxaline6298-37-947 % similar 5-Nitrobenzothiazole2942-07-646 % similar Benzothiazole-5-carboxylic acid68867-17-446 % similar 1-(Benzo[d]thiazol-5-yl)ethanone90347-90-346 % similar 5-Amino-2-methylbenzothiazole13382-43-946 % similar 2,1,3-Benzothiadiazol-5-amine874-37-345 % similar

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

Same formula

2-Aminobenzothiazole136-95-8 4-Isothiocyanatobenzenamine15191-25-0 3-(2-Thienyl)-1H-pyrazole19933-24-5 Rhodan2987-46-4 6-Benzothiazolamine533-30-2 Mercaptobenzimidazole583-39-1

Elsewhere

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