Basic information
- CAS
69945-13-7- Standard SMILES
Cc1cc(SSc2cc(C)nc(N)n2)nc(N)n1- InChIKey
CLAPOZGLYFFUHA-UHFFFAOYSA-N- Molecular formula
- C10H12N6S2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.05648676
Names & identifiers
- Preferred name
- 4,4'-Bis(2-amino-6-methylpyrimidyl) Disulfide
- IUPAC
- 4-[(2-amino-6-methylpyrimidin-4-yl)disulfanyl]-6-methylpyrimidin-2-amine
- English name
- 4,4'-Bis(2-amino-6-methylpyrimidyl) disulfide
- Molecular formula
- C10H12N6S2
- Molecular weight
- 280.37
Names & synonyms
4,4'-Bis(2-amino-6-methylpyrimidyl) DisulfideRefChem:506550678-052-469945-13-76,6'-Disulfanediylbis(4-methylpyrimidin-2-amine)4-[(2-amino-6-methylpyrimidin-4-yl)disulfanyl]-6-methylpyrimidin-2-amineNSC319117SCHEMBL741180DTXSID50317615CLAPOZGLYFFUHA-UHFFFAOYSA-NNSC-319117SB60104
Show more names
bisaminomethylpyrimidyldisulfide2-Pyrimidinamine, 4,4'-dithiobis[6-methyl-4,4′-Bis(2-amino-6-methylpyrimidyl) Disulfide, CAS 69945-13-74,4'-BIS(2-AMINO-6-METHYLPYRIMIDYL) DISULFIDE ISO 9001：2015 REACH
4,4'-Disulfanediylbis(6-methylpyrimidin-2-amine)
Database identifiers
- CAS
69945-13-7- PubChem CID
- 330486
- DTXSID
DTXSID50317615- EC Number
- 678-052-4
- Nikkaji
- J2.641.684A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 208 °C · 208 °C
- solubility
- sol benzene, acetonitrile.
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses4,4'-Bis(2-amino-6-methylpyrimidyl) disulfide can bind to phosphine and induce lactonization of o-hydroxy acids.
Preparation methods
Preparation4,4'-BIS(2-AMINO-6-METHYLPYRIMIDYL) DISULFIDE is readily prepared from commercially available 2-amino-4-chloro-6- methylpyrimidine, which is treated with NaS.H2O (5 equiv) in degassed propylene glycol at 140 °C for 3 h. The solution is diluted with H2O and neutralized with acetic acid. The collected precipitate is recrystallized from ethanol, giving pure 2-amino-4-mercapto-6-methylpyrimidine, which is dimerized with iodine in boiling methanol containing potassium carbonate.
Suppliers7 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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