Tributyl-(2-methylsulfonylthiazol-5-yl)stannane
Basic information
- CAS
1416437-22-3- Standard SMILES
CS(=O)(=O)c1nc[c]s1.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn]- InChIKey
NEDLDRSZDVPCNN-UHFFFAOYSA-N- Molecular formula
- C16H31NO2S2Sn
- Average molar mass
- 452.3 g/mol
- Monoisotopic mass
- 453.081824
Names & identifiers
- Preferred name
- Tributyl-(2-methylsulfonylthiazol-5-yl)stannane
- English name
- 2-(methylsulfonyl)-5-(tributylstannyl)thiazole
- Molecular formula
- C16H31NO2S2Sn
- Molecular weight
- 452.26
Names & synonyms
tributyl-(2-methylsulfonylthiazol-5-yl)stannaneThiazole, 2-(methylsulfonyl)-5-(tributylstannyl)-2-(Methylsulfonyl)-5-(tributylstannyl)thiazole-M5767tributyl-(2-methylsulfonyl-1,3-thiazol-5-yl)stannane
Database identifiers
- CAS
1416437-22-3- PubChem CID
- 175688009
Properties
Computed structural properties
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Boiling point
- 472.1 · 472.1±55.0 °C(Predicted)
- pka
- -1.38 · -1.38±0.10(Predicted)
- form
- solid
- InChI
- 1S/C4H4NO2S2.3C4H9.Sn/c1-9(6,7)4-5-2-3-8-4;3*1-3-4-2;/h2H,1H3;3*1,3-4H2,2H3;
- InChIKey
- NEDLDRSZDVPCNN-UHFFFAOYSA-N
- SMILES
- CCCC[Sn](CCCC)(CCCC)c1cnc(s1)S(C)(=O)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06,GHS08,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H312-H315-H319-H360FD-H372-H410
- Precautionary statements
- 202 · P202-P273-P280-P301+P310-P302+P352+P312-P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralAcute · Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1
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
- wgk
- WGK 3
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08,GHS09
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H312-H315-H319-H360FD-H372-H410
- Hazard Classifications
- Acute Tox. 3 OralAcute Tox. 4 DermalAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Repr. 1BSkin Irrit. 2STOT RE 1
- Precautionary statements
- P202-P273-P280-P301+P310-P302+P352+P312-P305+P351+P338
Chemistry & industry
Applications
Uses2-(Methylsulfonyl)-5-(tributylstannyl)thiazole is used as a reactant in the preparation of heterocyclic compounds for modulating PI3 kinase activity.
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Related reactions
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Compound notes
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