Basic information
- CAS
53040-42-9- Standard SMILES
CC(C)CCCCCOC(=O)CC[S][Sn]([CH3])([S]CCC(=O)OCCCCCC(C)C)[S]CCC(=O)OCCCCCC(C)C- InChIKey
UNSZSDJPWFJQBK-UHFFFAOYSA-K- Molecular formula
- C34H66O6S3Sn
- Average molar mass
- 785.8 g/mol
- Monoisotopic mass
- 786.304356
Names & identifiers
- Preferred name
- Propanoic acid, 3,3',3''-((methylstannylidyne)tris(thio))tris-, 1,1',1''-triisooctyl ester
- IUPAC
- 6-methylheptyl 3-[methyl-bis[[3-(6-methylheptoxy)-3-oxopropyl]sulfanyl]stannyl]sulfanylpropanoate
- English name
- triisooctyl 3,3',3''-[(methylstannylidyne)tris(thio)]trispropionate
- Molecular formula
- C34H66O6S3Sn
- Molecular weight
- 785.78924
Names & synonyms
53040-42-9Methyltintris(isooctyl 3-mercaptoproprionate)EINECS 258-318-2Methyltintris(isooctyl 3-mercaptopropanoate)DTXSID4068822Propanoic acid, 3,3',3''-((methylstannylidyne)tris(thio))tris-, 1,1',1''-triisooctyl esterPropanoic acid, 3,3',3''-((methylstannylidyne)tris(thio))tris-, triisooctyl esterPropanoic acid, 3,3',3''-[(methylstannylidyne)tris(thio)]tris-, 1,1',1''-triisooctyl esterRefChem:176345DTXCID604134529YHF8K7UYMethyltintris(isooctyl 3-mercaptopropionate)
Show more names
triisooctyl 3,3',3''-[(methylstannylidyne)tris(thio)]trispropionate3,3',3''-[(Methylstannylidyne)tris(thio)]tris[propanoic acid 6-methylheptyl] ester
Triisooctyl 3,3',3''-((methylstannylidyne)tris(thio))trispropionate6-Methylheptyl 5,16-dimethyl-5-({3-[(6-methylheptyl)oxy]-3-oxopropyl}sulfanyl)-9-oxo-10-oxa-4,6-dithia-5-stannaheptadecan-1-oate
Database identifiers
- CAS
53040-42-9- PubChem CID
- 104385
- DTXSID
DTXSID4068822- UNII
- 29YHF8K7UY
- EC Number
- 258-318-2
Properties
Computed structural properties
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 33
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 643
Physicochemical properties
- EPA Substance Registry System
- Methyltintris(isooctyl 3-mercaptoproprionate) (53040-42-9)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanoic acid, 3,3',3''-[(methylstannylidyne)tris(thio)]tris-, 1,1',1''-triisooctyl ester: INACTIVE
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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