2-(1,3-Dithian-2-ylmethyl)-2-methyl-1,3-dithiane
Basic information
- CAS
19451-21-9- Standard SMILES
CC1(CC2SCCCS2)SCCCS1- InChIKey
HTGMRSJFUCDEKR-UHFFFAOYSA-N- Molecular formula
- C10H18S4
- Average molar mass
- 266.5 g/mol
- Monoisotopic mass
- 266.02913527
Names & identifiers
- Preferred name
- 2-(1,3-Dithian-2-ylmethyl)-2-methyl-1,3-dithiane
- IUPAC
- 2-(1,3-dithian-2-ylmethyl)-2-methyl-1,3-dithiane
Names & synonyms
2-(1,3-dithian-2-ylmethyl)-2-methyl-1,3-dithiane19451-21-9DTXSID80306557RefChem:249653DTXCID10257684NSC1774642-[(1,3-dithian-2-yl)methyl]-2-methyl-1,3-dithianeNSC-177464
Database identifiers
- CAS
19451-21-9- PubChem CID
- 301175
- DTXSID
DTXSID80306557- Nikkaji
- J1.219.291F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…