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Dimethyl 3,3'-Dithiodipropionate

CAT: 0572-TRC-D472715-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D472715-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15441-06-2
Synonyms
Bis(methoxycarbonylethyl) Disulfide; 3,3'-Dithiodipropionic Acid Dimethyl Ester; 3,3'-Dithiodipropionic Acid Dimethyl Ester; NSC 638709
Hazard Statement
No Data Available
Smiles
COC(=O)CCSSCCC(=O)OC
Molecular Formula
C8H14O4S2
Molecular Weight
238.32
Shipping Conditions
Room Temperature

Chemical Information

Dimethyl 3,3'-dithiobispropionate
CAS Number15441-06-2
PubChem CID84913
IUPAC Namemethyl 3-[(3-methoxy-3-oxopropyl)disulfanyl]propanoate
Molecular FormulaC8H14O4S2
Molecular Weight238.3
XLogP0.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity164
SMILES
COC(=O)CCSSCCC(=O)OC
InChI
InChI=1S/C8H14O4S2/c1-11-7(9)3-5-13-14-6-4-8(10)12-2/h3-6H2,1-2H3
InChIKey
OSZKBWPMEPEYFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dimethyl 3,3'-dithiobispropionate
CAS: 15441-06-2
CID: 84913
Formula: C8H14O4S2
MW: 238.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.3
XLogP30.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass238.03335127
Monoisotopic Mass238.03335127
Topological Polar Surface Area103 Ų
Heavy Atom Count14
Formal Charge0
Complexity164
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
163862Dimethyl 3,3'-Dithiodipropionate
OR1012923-01Dimethyl 3,3-Thiodipropionate
447155-01Dimethyl 3,3-diacetylpentanedioate
FD05573-01Dimethyl 3,3'-thiodipropanoate
426768-013,3-Dimethyl Clobazam
RG-D132002-01Dimethyl 3,3'-Disulfanediyldipropanoate
abx181264-01Dimethyl 3,3'-thiodipropionate
OR1012922-01Dimethyl 3,3-Dithiobispropionate
abx183995-01Dimethyl 3-Thiaadipate
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