Basic information
- CAS
17749-59-6- Standard SMILES
CC1C2(C)SC3(C)CC(C)(S2)SC1(C)S3- InChIKey
DCANKSDUFUXDOE-UHFFFAOYSA-N- Molecular formula
- C11H18S4
- Average molar mass
- 278.5 g/mol
- Monoisotopic mass
- 278.02913527
Names & identifiers
- Preferred name
- Agn-PC-0jspef
- IUPAC
- 1,3,5,7,9-pentamethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane
- English name
- 1,3,5,7,9-Pentamethyl-2,4,6,8-tetrathiaadamantane
- Molecular weight
- 0
Names & synonyms
AGN-PC-0JSPEF17749-59-6DTXSID40338293RefChem:317605DTXCID702893801,3,5,7,9-Pentamethyl-2,4,6,8-tetrathiaadamantane2,4,6,8-Tetrathiaadamantane, 1,3,5,7,9-pentamethyl-DCANKSDUFUXDOE-UHFFFAOYSA-N1,3,5,7,9-pentamethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decanepentamethyl-2,4,6,8-tetrathiaadamantane1,3,5,7,9-Pentamethyl-2,4,6,8-tetrathiatricyclo[3.3.1.1~3,7~]decane2,4,6,8-Tetrathiatricyclo[3.3.1.1(3,7)]decane, 1,3,5,7,9-pentamethyl-
Database identifiers
- CAS
17749-59-6- PubChem CID
- 548158
- DTXSID
DTXSID40338293- Nikkaji
- J144.146I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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