Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester
Basic information
- CAS
59937-40-5- Standard SMILES
COC(=O)C(C(=O)OCC(C)C)=C1SC=CS1- InChIKey
HHNOYCGAZHXRSC-UHFFFAOYSA-N- Molecular formula
- C11H14O4S2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.03335127
Names & identifiers
- Preferred name
- Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl ester
- IUPAC
- 1-O-methyl 3-O-(2-methylpropyl) 2-(1,3-dithiol-2-ylidene)propanedioate
Names & synonyms
59937-40-5Propanedioic acid, 1,3-dithiol-2-ylidene-, methyl 2-methylpropyl esterSCHEMBL11700838DTXSID70431887Methyl 2-methylpropyl (2H-1,3-dithiol-2-ylidene)propanedioate
Database identifiers
- CAS
59937-40-5- PubChem CID
- 9856796
- DTXSID
DTXSID70431887
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 362
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Compound notes
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