2-Chlorobenzothiazole
Properties
- Molecular formula
- C7H4ClNS
- Molar mass
- 169.63 g/mol
- Exact mass
- 168.9753 Da
- Melting point
- 24 °C
- Boiling point
- 248 °C
- logP
- 2.95Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed83.3% of notifiers
- H302 Harmful if swallowed14.6% of notifiers
- H319 Causes serious eye irritation87.5% of notifiers
- H330 Fatal if inhaled81.2% of notifiers
- H411 Toxic to aquatic life with long lasting effects81.2% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P391, P403+P233, P405, P501
Identifiers
CAS number
615-20-3SMILES
Clc1nc2ccccc2s1InChIKey
BSQLQMLFTHJVKS-UHFFFAOYSA-NInChI
InChI=1S/C7H4ClNS/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzothiazole, 2-chloro-
- Benzothiazole, 1-chloro-
- NSC 8442
- 2-Chloro-1,3-benzothiazole
- 2-Chlorobenzo[d]thiazole
- 2-Chloro-1H-benzo[d]thiazole
Work with 2-Chlorobenzothiazole
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,6-Dichlorobenzothiazole3622-23-957 % similar
2-Chloro-6-methylbenzothiazole3507-26-453 % similar
2-Chloro-6-fluorobenzothiazole399-74-653 % similar
6-Bromo-2-chlorobenzothiazole80945-86-453 % similar
2-Fluorobenzothiazole1123-98-452 % similar
2-Methylbenzothiazole120-75-252 % similar
Accelerator DM120-78-552 % similar
Mercaptobenzothiazole149-30-452 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.