5-Chloro-2-methylbenzothiazole
Properties
- Molecular formula
- C8H6ClNS
- Molar mass
- 183.65 g/mol
- Exact mass
- 182.9909 Da
- Melting point
- 62 °C
- Boiling point
- 70–90 °C
- logP
- 3.26Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Identifiers
CAS number
1006-99-1SMILES
Cc1nc2cc(Cl)ccc2s1InChIKey
XCALAYIRFYALSX-UHFFFAOYSA-NInChI
InChI=1S/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzothiazole, 5-chloro-2-methyl-
- 2-Methyl-5-chlorobenzothiazole
- NSC 8453
- 5-Chloro-2-methyl-1,3-benzothiazole
- 5-Chloro-2-methylbenzo[d]thiazole
Work with 5-Chloro-2-methylbenzothiazole
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
2,5-Dimethylbenzothiazole95-26-163 % similar
5-Methoxy-2-methylbenzothiazole2941-69-760 % similar
5-Amino-2-methylbenzothiazole13382-43-959 % similar
5-Chloro-2(3H)-benzothiazolone20600-44-659 % similar
5-Fluoro-2-methylbenzothiazole399-75-759 % similar
5-Chloro-2-mercaptobenzothiazole5331-91-959 % similar
5-Bromo-2-methylbenzothiazole63837-11-659 % similar
2-Methyl-5-phenylbenzothiazole71215-89-957 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
1-Chloro-2-(isothiocyanatomethyl)benzene18967-44-7
3-Chloro-o-tolyl isothiocyanate19241-35-1
4-Chloro-2-isothiocyanato-1-methylbenzene19241-36-2
4-Chloro-1-isothiocyanato-2-methylbenzene23165-53-9
2-Chloro-4-methylbenzothiazole3622-32-0
1-Chloro-4-(isothiocyanatomethyl)benzene3694-45-9
1-Chloro-3-(isothiocyanatomethyl)benzene3694-58-4