Basic information
- CAS
57001-28-2- Standard SMILES
NCCc1nc(C(=O)O)cs1- InChIKey
SVTUOAQARVNGAM-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2S
- Average molar mass
- 172.21 g/mol
- Monoisotopic mass
- 172.03064868
Names & identifiers
- Preferred name
- 2-(2-Aminoethyl)-1,3-thiazole-4-carboxylic acid
- IUPAC
- 2-(2-aminoethyl)-1,3-thiazole-4-carboxylic acid
- English name
- 2-(1-Aminoethyl)thiazole-4-carboxylic acid
- Molecular formula
- C6H8N2O2S
- Molecular weight
- 172.21
Names & synonyms
57001-28-22-(2-Aminoethyl)thiazole-4-carboxylic acid2-(2-aminoethyl)-1,3-thiazole-4-carboxylic acid2-(1-Aminoethyl)thiazole-4-carboxylic acid2-(2-Aminoethyl)thiazole-4-carboxylicacidOprea1_411748SCHEMBL27427579DTXSID501350035MFCD00602140STL439289AKOS005109708RS-0292
Show more names
2-(b-aminoethyl)thiazole-4-carboxylic acidEN300-964352-(2-amino-ethyl)-thiazole-4-carboxylic acidF88084F982970
Database identifiers
- CAS
57001-28-2- PubChem CID
- 422293
- DTXSID
DTXSID501350035
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 365.846 · 365.846±22.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.421 · 1.421±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 3.292 · 3.292±0.10(predicted)
- Appearance
- White to off-white Solid
Chemistry & industry
Suppliers1 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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