Basic information
- CAS
54889-44-0- Standard SMILES
Cc1ccc2sc3c(c2c1)CCCC3- InChIKey
UMLADAJNBJVNDI-UHFFFAOYSA-N- Molecular formula
- C13H14S
- Average molar mass
- 202.32 g/mol
- Monoisotopic mass
- 202.08162162
Names & identifiers
- Preferred name
- Dibenzothiophene, 1,2,3,4-tetrahydro-8-methyl-
- IUPAC
- 8-methyl-1,2,3,4-tetrahydrodibenzothiophene
- English name
- 1,2,3,4-Tetrahydro-8-methyldibenzothiophene
- Molecular formula
- C13H14S
- Molecular weight
- 202.32
Names & synonyms
1,2,3,4-Tetrahydro-8-methyldibenzothiopheneDibenzothiophene, 1,2,3,4-tetrahydro-8-methyl-54889-44-0UMLADAJNBJVNDI-UHFFFAOYSA-NDTXSID301358302DB-3008908-Methyl-1,2,3,4-tetrahydrodibenzo[b,d]thiophene #
Database identifiers
- CAS
54889-44-0- PubChem CID
- 600069
- DTXSID
DTXSID301358302- Nikkaji
- J99.704H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,2,3,4-Tetrahydro-8-methyldibenzothiophene (54889-44-0)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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