AC1Lddve
Basic information
- CAS
57289-11-9- Standard SMILES
CC1C2SC3CC(C)(S2)SC1S3- InChIKey
XUUOSTKWCBSBOK-UHFFFAOYSA-N- Molecular formula
- C8H12S4
- Average molar mass
- 236.5 g/mol
- Monoisotopic mass
- 235.98218508
Names & identifiers
- Preferred name
- AC1Lddve
- IUPAC
- 1,10-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane
- English name
- 1,10-Dimethyl-2,4,6,8-tetrathiaadamantane
- Molecular formula
- C8H12S4
- Molecular weight
- 236.44
Names & synonyms
AC1LDDVE57289-11-9DTXSID70346967RefChem:313909DTXCID302980392,4,6,8-Tetrathiatricyclo[3.3.1.1(3,7)]decane, 1,10-dimethyl-1,10-Dimethyl-2,4,6,8-tetrathiaadamantaneXUUOSTKWCBSBOK-UHFFFAOYSA-NDB-2590351,10-Dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.1~3,7~]decane2,4,6,8-Tetrathiatricyclo[3.3.1.13,7]decane, 1,10-dimethyl-
Database identifiers
- CAS
57289-11-9- PubChem CID
- 616758
- DTXSID
DTXSID70346967
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 201
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Related reactions
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Compound notes
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