Basic information
- CAS
5316-74-5- Standard SMILES
CCSc1nc(-c2ccccc2)cs1- InChIKey
KGLVHCYZWWKBRE-UHFFFAOYSA-N- Molecular formula
- C11H11NS2
- Average molar mass
- 221.3 g/mol
- Monoisotopic mass
- 221.0332917
Names & identifiers
- Preferred name
- 2-(Ethylthio)-4-phenylthiazole
- IUPAC
- 2-ethylsulfanyl-4-phenyl-1,3-thiazole
- English name
- 2-(ethylthio)-4-phenylthiazole
- Molecular formula
- C11H11NS2
- Molecular weight
- 221.34
Names & synonyms
2-(Ethylthio)-4-phenylthiazole2-Ethylthio-4-phenylthiazoleThiazole, 2-(ethylthio)-4-phenyl-RH78GW6NNFEINECS 226-175-52-ethylsulfanyl-4-phenyl-1,3-thiazoleDTXSID6063773RefChem:84716CHEMBL-361234DTXCID4041367226-175-55316-74-5
Show more names
UNII-RH78GW6NNF2-(ETHYLSULFANYL)-4-PHENYL-1,3-THIAZOLECHEMBL361234KGLVHCYZWWKBRE-UHFFFAOYSA-NAKOS003025654NS00032667
Database identifiers
- CAS
5316-74-5- PubChem CID
- 79206
- DTXSID
DTXSID6063773- ChEMBL
CHEMBL361234- UNII
- RH78GW6NNF
- EC Number
- 226-175-5
- Nikkaji
- J298.000B
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 300 °C · 300 °C
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 1.73 · 1.73±0.10(Predicted)
- FDA UNII
- 78 GW6NNF · RH78GW6NNF
- EPA Substance Registry System
- 2 · Thiazole, 2-(ethylthio)-4-phenyl- (5316-74-5)
- 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, 2-(ethylthio)-4-phenyl-: INACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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