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Basic information
- CAS
26292-91-1- Standard SMILES
CSc1ncncn1- InChIKey
WOPHAXVWACNHPM-UHFFFAOYSA-N- Molecular formula
- C4H5N3S
- Average molar mass
- 127.17 g/mol
- Monoisotopic mass
- 127.02041835
Names & identifiers
- Preferred name
- 2-(Methylthio)-1,3,5-triazine
- IUPAC
- 2-methylsulfanyl-1,3,5-triazine
- English name
- 2-(methylthio)-1,3,5-triazine
- Molecular formula
- C4H5N3S
- Molecular weight
- 127.17
Names & synonyms
2-(methylthio)-1,3,5-triazine2-(methylsulfanyl)-1,3,5-triazineCHEBI:38062DTXSID20275051RefChem:84783DTXCID90226499856-046-426292-91-12-methylsulfanyl-1,3,5-triazine1,3,5-Triazine, 2-(methylthio)-methylthio-s-triazineSCHEMBL135573
Show more names
SCHEMBL73283102-methylsulfanyl-[1,3,5]triazineH61652EN300-7592672Q27117365
Database identifiers
- CAS
26292-91-1- PubChem CID
- 33470
- DTXSID
DTXSID20275051- ChEBI
CHEBI:38062- EC Number
- 856-046-4
- Nikkaji
- J1.611.374C
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 62
Physicochemical properties
- Melting point
- 32.5 °C · 32.5 °C
- Boiling point
- 75 °C · 75 °C(Press: 7 Torr)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 1.34 · 1.34±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H319-H315-H332-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
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
- H312-H319-H315-H332-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Additional notes
DefinitionChEBI: 2-(methylthio)-1,3,5-triazine is a methylthio-1,3,5-triazine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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