Thioperoxydicarbonic acid (((HO)C(S))2S2), bis(3-methylbutyl) ester
Basic information
- CAS
16645-83-3- Standard SMILES
CC(C)CCOC(=O)SSC(=O)OCCC(C)C- InChIKey
XTJLJTOOLKWBFS-UHFFFAOYSA-N- Molecular formula
- C12H22O4S2
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.09595153
Names & identifiers
- Preferred name
- Thioperoxydicarbonic acid (((HO)C(S))2S2), bis(3-methylbutyl) ester
- IUPAC
- 3-methylbutyl (3-methylbutoxycarbonyldisulfanyl)formate
Names & synonyms
16645-83-3Thioperoxydicarbonic acid (((HO)C(S))2S2), bis(3-methylbutyl) esterDiisoamyl dixanthogenDiisopentyl dixanthogen1,1'-[disulfanediylbis(carbonyloxy)]bis(3-methylbutane)Diisoamyl xanthogen disulfideDTXSID90168108Formic acid, dithiobis(thio-, O,O-diisopentyl ester
Database identifiers
- CAS
16645-83-3- PubChem CID
- 186019
- DTXSID
DTXSID90168108
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 228
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Related reactions
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Compound notes
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