2-Amino-6-nitrobenzothiazole

C₇H₅N₃O₂SCAS 6285-57-0195.20 g/mol

Open in Covalent MOL file

Nitro

Properties

Molecular formula: C₇H₅N₃O₂S
Molar mass: 195.20 g/mol
Exact mass: 195.0102 Da
Melting point: 249 °C
Water solubility: < 1 g/L (18.9 °C)
logP: 1.62Crippen estimate
Polar surface area: 82.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.8% of notifiers
H312 Harmful in contact with skin97.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled97.8% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

6285-57-0

SMILES

N=c1[nH]c2ccc([N+](=O)[O-])cc2s1

InChIKey

GPNAVOJCQIEKQF-UHFFFAOYSA-N

InChI

InChI=1S/C7H5N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3H,(H2,8,9)

Weigh it out

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

Names and synonyms

14 names · show all

2-Benzothiazolamine, 6-nitro-
Benzothiazole, 2-amino-6-nitro-
6-Nitro-2-benzothiazolamine
6-Nitro-2-aminobenzothiazole
6-Nitro-2-benzothiazolylamine
6-Nitro-1,3-benzothiazol-2-ylamine
NSC 10794
NSC 62341
NSC 62980
2-Amino-6-nitro-1,3-benzothiazole
SKA 4
6-Nitrobenzothiazol-2-amine
6-Nitrobenzo[d]thiazol-2-amine
6-Nitrobenzothiazole-2-ylamine

Work with 2-Amino-6-nitrobenzothiazole

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-Nitro-2-benzothiazolinone28620-12-468 % similar 2-Amino-5-nitrobenzimidazole6232-92-458 % similar 2-Amino-6-bromobenzothiazole15864-32-149 % similar 2-Amino-6-methylbenzothiazole2536-91-649 % similar 2-Amino-6-benzothiazolol26278-79-549 % similar 2-Amino-6-fluorobenzothiazole348-40-349 % similar 2-Amino-6-chlorobenzothiazole95-24-949 % similar 2-Amino-4-(p-nitrophenyl)thiazole2104-09-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Amino-5-nitro-2,1-benzisothiazole14346-19-1 4-Amino-3-nitrophenyl thiocyanate54029-45-7 2-Mercapto-5-nitrobenzimidazole6325-91-3 5-Nitro-1,3-benzothiazol-2-amine73458-39-6 3-Amino-5-nitrobenzoisothiazole84987-89-3

Elsewhere

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