5-Methoxy-2-(methylthio)pyrimidin-4-ol
Basic information
- CAS
1671-08-5- Standard SMILES
COc1cnc(SC)[nH]c1=O- InChIKey
PCFMDDLVLHIRNK-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2S
- Average molar mass
- 172.21 g/mol
- Monoisotopic mass
- 172.03064868
Names & identifiers
- Preferred name
- 5-Methoxy-2-(methylthio)pyrimidin-4-ol
- IUPAC
- 5-methoxy-2-methylsulfanyl-1H-pyrimidin-6-one
- English name
- 5-methoxy-2-(methylthio)pyrimidin-4-ol ,97%
- Molecular formula
- C6H8N2O2S
- Molecular weight
- 172.2
Names & synonyms
1671-08-55-methoxy-2-(methylthio)pyrimidin-4-ol5-Methoxy-2-(methylthio)pyrimidin-4(3H)-one5-methoxy-2-methylsulfanyl-1H-pyrimidin-6-oneMFCD269354255-methoxy-2-(methylthio)pyrimidin-4-ol ,97%5-methoxy-2-(methylsulfanyl)-4-pyrimidinol4(3H)-Pyrimidinone, 5-methoxy-2-(methylthio)-5-methoxy-2-(methylthio)pyrimidin-4-ol ,97per centNSC93165-methoxy-2-(methylsulfanyl)pyrimidin-4(3h)-one5-methoxy-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one
Show more names
5-METHOXY-2-(METHYLTHIO)-4-PYRIMIDINOL5-Methoxy-2-methylthio-4-hydroxypyrimidine5-methoxy-2-(methylthio)-1H-pyrimidin-6-one5-Methoxy-2-(methylthio)pyrimidin-4-ol ,98%5-methoxy-2-(methylthio)pyrimidin-4-ol ,97% ISO 9001：2015 REACH
5-Methoxy-2-methylsulfanyl-pyrimidin-4-ol4(3H)-Pyrimidinone,5-methoxy-2-(methylthio)-SCHEMBL170064SCHEMBL11900387DTXSID60278703PCFMDDLVLHIRNK-UHFFFAOYSA-NNSC-9316MFCD00184817
Database identifiers
- CAS
1671-08-5- PubChem CID
- 222671
- DTXSID
DTXSID60278703- Nikkaji
- J1.241.569I
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 197 · 197-198 °C(Solv: water, 30% (7732-18-5); ethanol (64-17-5))
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 6.98 · 6.98±0.50(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302+H312+H332
- Precautionary statements
- 280 · P280-P301+P312-P362+P364
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36/37
- HS Code
- 29335990 · 29335990
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
- hs_code
- 29335990
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 36/37
- Hazard statements
- H319-H335-H315-H302+H312+H332
- Precautionary statements
- P280-P301+P312-P362+P364
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…