Basic information
- CAS
13623-12-6- Standard SMILES
CC(C)(C)c1nccs1- InChIKey
DQAIZGWCKXJRSP-UHFFFAOYSA-N- Molecular formula
- C7H11NS
- Average molar mass
- 141.24 g/mol
- Monoisotopic mass
- 141.06122053
Names & identifiers
- Preferred name
- 2-(Tert-butyl)thiazole
- IUPAC
- 2-tert-butyl-1,3-thiazole
- English name
- 2-(1,1-Dimethylethyl)thiazole
- Molecular formula
- C7H11NS
- Molecular weight
- 141.23
Names & synonyms
2-(tert-Butyl)thiazole2-(1,1-Dimethylethyl)thiazoleRefChem:462334815-261-32-tert-Butyl-1,3-thiazole13623-12-62-tert-ButylthiazoleThiazole, 2-(1,1-dimethylethyl)-Thiazole, 2-tert-butyl-2-tert.-butylthiazolthiazole, 2-t-butyl-SCHEMBL534147
Show more names
2-(2-methylprop-2-yl)-1,3-thiazole
SCHEMBL684232SCHEMBL58852212-tert-Butyl-1,3-thiazole #DTXSID70342343DQAIZGWCKXJRSP-UHFFFAOYSA-NMFCD12033565AKOS015940536AT18862
Database identifiers
- CAS
13623-12-6- PubChem CID
- 580980
- DTXSID
DTXSID70342343- EC Number
- 815-261-3
- Nikkaji
- J129.803H
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 95.6
Physicochemical properties
- Boiling point
- 174.1 · 174.1±9.0 °C(Predicted)
- Density
- 1.017 · 1.017±0.06 g/cm3(Predicted)
- pka
- 1 · pK1: 3.00(+1) (25°C,μ=0.1)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H226-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
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, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H315-H335-H226-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers8 total
郑州药领医药科技有限公司13526569071 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
常州探索化学有限公司+8615295164949 · [email protected]
济南鑫宏泰化学有限公司13000000000 · [email protected]
上海奥德瑞康医药有限公司18902198068 18912886236 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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