Basic information
- CAS
148550-51-0- Standard SMILES
CCOC(=O)c1cnc(S(C)(=O)=O)nc1- InChIKey
SHVJIPVRIOSGCA-UHFFFAOYSA-N- Molecular formula
- C8H10N2O4S
- Average molar mass
- 230.24 g/mol
- Monoisotopic mass
- 230.0361278
Names & identifiers
- Preferred name
- Ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate
- IUPAC
- ethyl 2-methylsulfonylpyrimidine-5-carboxylate
- English name
- Ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate
- Molecular formula
- C8H10N2O4S
- Molecular weight
- 230.24
Names & synonyms
ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate148550-51-0ethyl 2-methylsulfonylpyrimidine-5-carboxylateMFCD073667515-Pyrimidinecarboxylic acid, 2-(methylsulfonyl)-, ethyl esterNSC796152-(methylsulfonyl)-5-pyrimidinecarboxylic acid ethyl esterEthyl2-(methylsulfonyl)pyrimidine-5-carboxylateNCIOpen2_004458Ethyl 2-(Methylsulfonyl)-5-pyrimidinecarboxylateSCHEMBL650818DTXSID80292007
Show more names
ETHYL 2-(METHYLSULPHONYL)PYRIMIDINE-5-CARBOXYLATEEthyl 2-(methylsulfonyl)pyrimidine-5-carboxylate 95%ETHYL 2-(METHYLSULFONYL)PYRIMIDINE-5-CARBOXYLATE ISO 9001：2015 REACH
SHVJIPVRIOSGCA-UHFFFAOYSA-NNSC-79615AKOS016005037DS-4021SY248187DB-063765CS-0041837Ethyl 2-(methanesulfonyl)pyrimidine-5-carboxylate
Database identifiers
- CAS
148550-51-0- PubChem CID
- 254889
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 407.7 · 407.7±37.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -4.99 · -4.99±0.22(Predicted)
- Appearance
- Off-white to yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety data
- hs_code
- 2933399990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P261
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers40 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海源鼎化学科技有限公司21-57721279 18121011378 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
Related reactions
17 records
Compound notes
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