Basic information
- CAS
1353945-73-9- Standard SMILES
COc1cc(N2CCCCC2C(=O)O)nc(SC)n1- InChIKey
AIEWMEUWZXHARP-UHFFFAOYSA-N- Molecular formula
- C12H17N3O3S
- Average molar mass
- 283.35 g/mol
Names & identifiers
- Preferred name
- 1-(6-Methoxy-2-(methylthio)pyrimidin-4-yl)piperidine-2-carboxylic acid
- IUPAC
- 1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)piperidine-2-carboxylic acid
- English name
- 1-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-yl)-piperidine-2-carboxylic acid
- Molecular formula
- C12H17N3O3S
- Molecular weight
- 283.35
Names & synonyms
1353945-73-91-(6-Methoxy-2-(methylthio)pyrimidin-4-yl)piperidine-2-carboxylic acid1-(6-Methoxy-2-methylsulfanyl-pyrimidin-4-yl)-piperidine-2-carboxylic acid1-(6-Methoxy-2-methylsulfanylpyrimidin-4-yl)piperidine-2-carboxylic acidAKOS024463704DB-2908501-(6-Methoxy-2-(methylthio)pyrimidin-4-yl)piperidine-2-carboxylicacid1-(6-Methoxy-2-methylsulfanyl-pyrimidin-4-yl)piperidine-2-carboxylic acid2-Piperidinecarboxylic acid, 1-[6-methoxy-2-(methylthio)-4-pyrimidinyl]-
Database identifiers
- CAS
1353945-73-9
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 523.7 · 523.7±50.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 3.07 · 3.07±0.20(Predicted)
Chemistry & industry
Suppliers3 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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