5-Methyl-1,2-dihydropyrimidine-2-thione
Basic information
- CAS
42783-64-2- Standard SMILES
Cc1cnc(=S)[nH]c1- InChIKey
UDXSIDQGDWMVDD-UHFFFAOYSA-N- Molecular formula
- C5H6N2S
- Average molar mass
- 126.18 g/mol
- Monoisotopic mass
- 126.02516937
Names & identifiers
- Preferred name
- 5-Methyl-1,2-dihydropyrimidine-2-thione
- IUPAC
- 5-methyl-1H-pyrimidine-2-thione
- English name
- 2(1H)-Pyrimidinethione, 5-methyl- (9CI)
- Molecular formula
- C5H6N2S
- Molecular weight
- 126.18
Names & synonyms
5-methyl-1,2-dihydropyrimidine-2-thioneRefChem:536790824-927-25-methylpyrimidine-2-thiol42783-64-25-methylpyrimidine-2(1h)-thione5-methyl-1H-pyrimidine-2-thione1007553-38-9MFCD034657152-Mercapto-5-methylpyrimidineSCHEMBL4760133SCHEMBL8604935
Show more names
2-Mercapto-5-Methylpyrimdine5-methyl-2(1H)-Pyrimidinethione2(1H)-Pyrimidinethione, 5-methyl-2(1H)-Pyrimidinethione, 5-methyl- (9CI)5-MethylpyriMidine-2-thiol hydrochloride5-MethylpyriMidine-2-thiol ( hydrochloride salt also acceptable)
DTXSID40403238SBA78364SBB021424STK3015845-Methyl-2-(|E1-sulfanyl)pyrimidineAKOS000306305NCGC00647072-02DB-070341
Database identifiers
- CAS
42783-64-2- PubChem CID
- 4432095
- DTXSID
DTXSID40403238- EC Number
- 824-927-2
- Nikkaji
- J2.569.390F
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 233 · 233-235 °C
- Boiling point
- 201.7 · 201.7±23.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 7.33 · 7.33±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H312-H335-H332-H315-H302
- Precautionary statements
- 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H312-H335-H332-H315-H302
- Precautionary statements
- P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
Uses5-methyl-1,2-dihydropyrimidine-2-thione is a useful research chemical.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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