Basic information
- CAS
19983-15-4- Standard SMILES
O=C(O)C1CSC(c2ccccc2)=N1- InChIKey
HOZQYTNELGLJMC-UHFFFAOYSA-N- Molecular formula
- C10H9NO2S
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.03539953
Names & identifiers
- Preferred name
- 2-Phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
- IUPAC
- 2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid
- English name
- 4,5-dihydro-2-phenylthiazole-4-carboxylic acid
- Molecular formula
- C10H9NO2S
- Molecular weight
- 207.25
Names & synonyms
19983-15-42-Phenyl-4,5-dihydrothiazole-4-carboxylic acid2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxylic acid2-Phenyl-4,5-dihydro-thiazole-4-carboxylic acid4,5-Dihydro-2-phenylthiazole-4-carboxylic acid2-phenyl-1,3-thiazoline-4-carboxylic acid4-thiazolecarboxylic acid, 4,5-dihydro-2-phenyl-EINECS 243-452-6SCHEMBL723266DTXSID80941922MCA09693UAA98315
Show more names
73-814,5-Dihydro-2-phenyl-4-thiazolecarboxylic acid
2-phenylthiazoline-4 carboxylic acid2-phenylthiazoline-4-carboxylic acidAKOS000607310AKOS016340947SB30811SB35143DB-066018CS-0269853
Database identifiers
- CAS
19983-15-4- PubChem CID
- 88327
- DTXSID
DTXSID80941922- EC Number
- 243-452-6
- Nikkaji
- J280.414J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 75 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 125 · 125-126 °C
- Boiling point
- 415.4 · 415.4±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 1.28 · 1.28±0.40(Predicted)
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
上海智乾生物科技有限公司[email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
19 records
Compound notes
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