2,4-Dimethyl-3-thiazoline
Basic information
- CAS
60755-05-7- Standard SMILES
CC1=NC(C)SC1- InChIKey
PLOCKLWJINZHTI-UHFFFAOYSA-N- Molecular formula
- C5H9NS
- Average molar mass
- 115.2 g/mol
- Monoisotopic mass
- 115.04557046
Overview
2,4-Dimethyl-2,5-dihydro-1,3-thiazole is a member of thiazoles.
Names & identifiers
- Preferred name
- 2,4-Dimethyl-3-thiazoline
- IUPAC
- 2,4-dimethyl-2,5-dihydro-1,3-thiazole
- English name
- 2,5-dihydro-2,4-dimethylthiazole
- Molecular formula
- C5H9NS
- Molecular weight
- 115.2
Names & synonyms
2,4-Dimethyl-3-thiazoline60755-05-7EINECS 262-405-042OL7K019GThiazole, 2,5-dihydro-2,4-dimethyl-3-THIAZOLINE, 2,4-DIMETHYL-RefChem:4437482,5-Dihydro-2,4-dimethylthiazole2,4-dimethyl-2,5-dihydro-1,3-thiazolexi-2,5-Dihydro-2,4-dimethylthiazoleUNII-42OL7K019GSCHEMBL11314980
Show more names
DTXSID80866823CHEBI:184674PLOCKLWJINZHTI-UHFFFAOYSA-NDB-302458NS00054746Q27258566
Database identifiers
- CAS
60755-05-7- PubChem CID
- 108501
- DTXSID
DTXSID80866823- ChEBI
CHEBI:184674- UNII
- 42OL7K019G
- EC Number
- 262-405-0
- Nikkaji
- J268.280J
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 98.3
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 167.5 · 167.5±33.0 °C(Predicted)
- Density
- 1.13 · 1.13±0.1 g/cm3(Predicted)
- FLAVIS Number
- 15.06 · 15.060 | 2,4-Dimethyl-3-thiazoline
- pka
- 6.93 · 6.93±0.40(Predicted)
- LogP
- 2.518 · 2.518 (est)
- FDA UNII
- 42 OL7K019G · 42OL7K019G
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 Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thiazole, 2,5-dihydro-2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: 2,4-Dimethyl-2,5-dihydro-1,3-thiazole is a member of thiazoles.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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