Basic information
- CAS
17243-14-0- Standard SMILES
CCCCCCCCCCCCOC(=O)CCS(=O)CCC(=O)OCCCCCCCCCCCC- InChIKey
XQQARSOXXGMYHZ-UHFFFAOYSA-N- Molecular formula
- C30H58O5S
- Average molar mass
- 530.8 g/mol
- Monoisotopic mass
- 530.40049612
Overview
Didodecyl 3,3'-thiodipropionate oxide is a dicarboxylic acid.
Names & identifiers
- Preferred name
- 1,1'-Didodecyl 3,3'-sulfinyldipropanoate
- IUPAC
- dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfinylpropanoate
- English name
- didodecyl 3,3'-sulphinylbispropionate
- Molecular formula
- C30H58O5S
- Molecular weight
- 530.84
Names & synonyms
17243-14-0Didodecyl 3,3'-sulphinylbispropionate1,1'-Didodecyl 3,3'-sulfinyldipropanoateDTXSID20169284RefChem:1051596DTXCID5091775241-276-4Didodecyl 3,3'-sulfinyldipropionatedodecyl 3-(3-dodecoxy-3-oxopropyl)sulfinylpropanoateEINECS 241-276-4Didodecyl 3,3/'-sulphinylbispropionateDidodecyl 3,3'-thiodipropionate oxide
Show more names
Propanoic acid, 3,3'-sulfinyldi-, 1,1'-didodecyl ester
didodecyl 3,3'-sulfinyldipropanoateC30H58O5SCHEBI:195269XQQARSOXXGMYHZ-UHFFFAOYSA-NMFCD19705193NS000256543,3'-Sulfinylbis(propionic acid dodecyl) esterF87840
Database identifiers
- CAS
17243-14-0- PubChem CID
- 87016
- DTXSID
DTXSID20169284- ChEBI
CHEBI:195269- EC Number
- 241-276-4
- Nikkaji
- J318.186C
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 30
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- Boiling point
- 628.6 · 628.6±40.0 °C(Predicted)
- Density
- 0.982 · 0.982±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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