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Propanoic acid, 3,3'-dithiobis-, 1,1'-diethyl ester

HCID 74161
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
1609-40-1
Standard SMILES
CCOC(=O)CCSSCCC(=O)OCC
InChIKey
DHWICUSCZFUOKA-UHFFFAOYSA-N
Molecular formula
C10H18O4S2
Average molar mass
266.4 g/mol
Monoisotopic mass
266.0646514

Names & identifiers

Preferred name
Propanoic acid, 3,3'-dithiobis-, 1,1'-diethyl ester
IUPAC
ethyl 3-[(3-ethoxy-3-oxopropyl)disulfanyl]propanoate
English name
3,3'-Dithiobis(propionic acid ethyl) ester
Molecular formula
C10H18O4S2
Molecular weight
266.38

Names & synonyms

Propanoic acid, 3,3'-dithiobis-, diethyl esterPropanoic acid, 3,3'-dithiobis-, 1,1'-diethyl esterRefChem:869320Diethyl 3,3'-dithiodipropionate1609-40-1ethyl 3-[(3-ethoxy-3-oxopropyl)disulfanyl]propanoate3,3/'-Dithiobis(propionic acid ethyl) esterdiethyl 3,3'-disulfanediyldipropanoatediethyl dithiodipropionateSCHEMBL283994DTXSID1061817DHWICUSCZFUOKA-UHFFFAOYSA-N
Show more names
3,3'-Dithiobis(propansaeure-diethylester)3,3'-Dithiobis(propanoic acid ethyl) esterethyl 3-(3-ethoxy-3-oxopropyl)disulfanylpropanoate
3,3'-Dithiobis(propionic acid ethyl) ester

Database identifiers

CAS
1609-40-1
PubChem CID
74161
DTXSID
DTXSID1061817
Nikkaji
J421.582F

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
103 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
16
Formal charge
0
Complexity
187

Physicochemical properties

EPA Substance Registry System
3 · Diethyl 3,3'-dithiodipropionate (1609-40-1)
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'-dithiobis-, 1,1'-diethyl ester: INACTIVE

Upstream & downstream products

Downstream products

Ethyl 3-methylthiopropionate3,3'-dithiobis(propionohydrazide)Ethyl 3-mercaptopropionate

Suppliers1 total

BOC Sciences+1-631-485-4226 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes