Basic information
- CAS
63896-08-2- Standard SMILES
CSC1=NCCCN1C- InChIKey
IGFYRBDAPXOWPY-UHFFFAOYSA-N- Molecular formula
- C6H12N2S
- Average molar mass
- 144.24 g/mol
- Monoisotopic mass
- 144.07211956
Names & identifiers
- Preferred name
- 1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
- IUPAC
- 1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine
- English name
- 1-Methyl-2-(methylthio)-1,4,5,6-tetrahydropyrimidine
- Molecular formula
- C6H12N2S
- Molecular weight
- 144.24
Names & synonyms
63896-08-21-Methyl-2-(methylthio)-1,4,5,6-tetrahydropyrimidine1-methyl-2-methylsulfanyl-5,6-dihydro-4H-pyrimidine1-methyl-2-(methylsulfanyl)-1,4,5,6-tetrahydropyrimidineMFCD00835252SBB086361STK383735AKOS005452832BS-42007SY280238CS-0061767W17639
Show more names
Pyrimidine, 1,4,5,6-tetrahydro-1-methyl-2-(methylthio)-
AE-018/318650043-methyl-2-methylthio-3,4,5,6-tetrahydropyrimidine
Database identifiers
- CAS
63896-08-2- PubChem CID
- 3371191
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 60 °C · 60 °C(Press: 2 Torr)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 10.59 · 10.59±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
2 records
Compound notes
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