Basic information
- CAS
39800-92-5- Standard SMILES
CC(C)CC1N=CCS1- InChIKey
HNGAQXOAPFFRPE-UHFFFAOYSA-N- Molecular formula
- C7H13NS
- Average molar mass
- 143.25 g/mol
- Monoisotopic mass
- 143.07687059
Names & identifiers
- Preferred name
- 2-Isobutyl-3-thiazoline
- IUPAC
- 2-(2-methylpropyl)-2,5-dihydro-1,3-thiazole
- English name
- 2,5-dihydro-2-(2-methylpropyl)thiazole
- Molecular formula
- C7H13NS
- Molecular weight
- 143.25
Names & synonyms
2-ISOBUTYL-3-THIAZOLINERefChem:47380939800-92-52,5-dihydro-2-(2-methylpropyl)Thiazole2-Isobutyl-3-thiazolinG4FR6J4WQ52-Isobutyl-Delta3-thiazolineSCHEMBL27796112HNGAQXOAPFFRPE-UHFFFAOYSA-NDTXSID6010197912-Isobutyl-2,5-dihydro-1,3-thiazoleDA-27207
Show more names
NS00121989Thiazole, 2,5-dihydro-2-(2-methylpropyl)-2-(2-Methylpropyl)-2,5-dihydro-1,3-thiazole
Database identifiers
- CAS
39800-92-5- PubChem CID
- 14701079
- DTXSID
DTXSID601019791- UNII
- G4FR6J4WQ5
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 109
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 235.8 · 235.8±40.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- FLAVIS Number
- 15.119 · 15.119 | 2-Isobutyl-3-thiazoline
- pka
- 6.33 · 6.33±0.40(Predicted)
- FDA UNII
- 4 FR6J4WQ5 · G4FR6J4WQ5
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Chemistry & industry
Suppliers2 total
德拜科技有限公司00852-2521 1836
R C Treatt and Co Ltd[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…