Thiazole, 5-propyl-
Basic information
- CAS
52414-82-1- Standard SMILES
CCCc1cncs1- InChIKey
RGPMCMYHWAEMSM-UHFFFAOYSA-N- Molecular formula
- C6H9NS
- Average molar mass
- 127.21 g/mol
- Monoisotopic mass
- 127.04557046
Names & identifiers
- Preferred name
- Thiazole, 5-propyl-
- IUPAC
- 5-propyl-1,3-thiazole
- English name
- 5-propylthiazole
- Molecular formula
- C6H9NS
- Molecular weight
- 127.21
Names & synonyms
Thiazole, 5-propyl-5-PROPYLTHIAZOLEEINECS 257-902-4DTXSID8068753RefChem:189290DTXCID0041191257-902-4RGPMCMYHWAEMSM-UHFFFAOYSA-N52414-82-15-Propyl-1,3-thiazole7L7SRZ29UM5-Propyl-1,3-thiazole #
Show more names
SCHEMBL358882SCHEMBL744571SCHEMBL5009417SCHEMBL6032061DB-317809NS00032504
Database identifiers
- CAS
52414-82-1- PubChem CID
- 40379
- DTXSID
DTXSID8068753- UNII
- 7L7SRZ29UM
- EC Number
- 257-902-4
- Nikkaji
- J129.800C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 65.5
Physicochemical properties
- Boiling point
- 183.7 · 183.7±9.0 °C(Predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- pka
- 3.2 · 3.20±0.10(Predicted)
- EPA Substance Registry System
- 5 · Thiazole, 5-propyl- (52414-82-1)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationThiazole, 5-propyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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