2-sec-Butylthiazole
Properties
- Molecular formula
- C7H11NS
- Molar mass
- 141.23 g/mol
- Exact mass
- 141.0612 Da
- Density
- 0.998–1.003 g/mL
- Boiling point
- 173–174 °C
- logP
- 2.66Crippen estimate
- Polar surface area
- 12.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H226 Flammable liquid and vapor39.7% of notifiers
- H315 Causes skin irritation96.3% of notifiers
- H319 Causes serious eye irritation96.3% of notifiers
- H335 May cause respiratory irritation96.3% of notifiers
Aggregated from 136 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
18277-27-5SMILES
CCC(C)c1nccs1InChIKey
MHJSWOZJMPIGJQ-UHFFFAOYSA-NInChI
InChI=1S/C7H11NS/c1-3-6(2)7-8-4-5-9-7/h4-6H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Thiazole, 2-(1-methylpropyl)-
- Thiazole, 2-sec-butyl-
- 2-(1-Methylpropyl)thiazole
- 2-Butan-2-yl-1,3-thiazole
Work with 2-sec-Butylthiazole
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-sec-Butyl-3-methoxypyrazine24168-70-539 % similar
2-Ethoxythiazole15679-19-338 % similar
2-Propylthiazole17626-75-438 % similar
2-Methylthiazole3581-87-137 % similar
sec-Butylbenzene135-98-836 % similar
2-Propionylthiazole43039-98-134 % similar
4-(1-Methylpropyl)benzenamine30273-11-133 % similar
4-sec-Butylphenol99-71-833 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.