2-sec-Butyl-4,5-dihydrothiazole
Basic information
- CAS
56367-27-2- Standard SMILES
CCC(C)C1=NCCS1- InChIKey
SAWWKXMIPYUIBW-UHFFFAOYSA-N- Molecular formula
- C7H13NS
- Average molar mass
- 143.25 g/mol
- Monoisotopic mass
- 143.07687059
Overview
volatile pheromone constituent of male mouse urine
Names & identifiers
- Preferred name
- 2-sec-Butyl-4,5-dihydrothiazole
- IUPAC
- 2-butan-2-yl-4,5-dihydro-1,3-thiazole
- English name
- 2-(sec-butyl)-4,5-dihydrothiazole
- Molecular formula
- C7H13NS
- Molecular weight
- 143.25
Names & synonyms
2-(sec-Butyl)-4,5-dihydrothiazole56367-27-22-sec-Butyl-4,5-dihydrothiazole2-(Sec-Butyl)thiazolineThiazole, 4,5-dihydro-2-(1-methylpropyl)-4,5-Dihydro-2-(1-methylpropyl)thiazoleLE756QG3F5DTXSID00971802SBDHTRefChem:84881DTXCID0013992982-butan-2-yl-4,5-dihydro-1,3-thiazole
Show more names
2-(sec-Butyl)-4,5-dihydrothiazole b
MFCD280442852-(Butan-2-yl)-4,5-dihydro-1,3-thiazole2-sec-butylthiazoline(S)-2-(sec-butyl)-4,5-dihydrothiazoleUNII-LE756QG3F5SCHEMBL5933482-s-butyl-4,5-dihydrothiazoleCHEMBL3337494
Database identifiers
- CAS
56367-27-2- PubChem CID
- 162148
- DTXSID
DTXSID00971802- ChEMBL
CHEMBL3337494- UNII
- LE756QG3F5
- Nikkaji
- J489.636J
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 120
Physicochemical properties
- Boiling point
- 193 · 193.0±9.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.97 · 4.97±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 756 QG3F5 · LE756QG3F5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…