4H-1,3-Dithiin, 4-methyl-2-(1-propenyl)-
Basic information
- CAS
60051-35-6- Standard SMILES
CC=CC1SC=CC(C)S1- InChIKey
ALDAFTNRTWJFQH-UHFFFAOYSA-N- Molecular formula
- C8H12S2
- Average molar mass
- 172.3 g/mol
- Monoisotopic mass
- 172.03804273
Names & identifiers
- Preferred name
- 4H-1,3-Dithiin, 4-methyl-2-(1-propenyl)-
- IUPAC
- 4-methyl-2-prop-1-enyl-4H-1,3-dithiine
Names & synonyms
60051-35-6DTXSID003398474H-1,3-Dithiin, 4-methyl-2-(1-propenyl)-RefChem:297049DTXCID402909284-Methyl-2-(prop-1-en-1-yl)-2H,4H-1,3-dithiine
Database identifiers
- CAS
60051-35-6- PubChem CID
- 559145
- DTXSID
DTXSID00339847
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 149
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…