Dibenzothiophene
Properties
- Molecular formula
- C12H8S
- Molar mass
- 184.26 g/mol
- Exact mass
- 184.0347 Da
- Melting point
- 97 °C
- Boiling point
- 332.5 °C
- Water solubility
- 1.47 mg/L (25 °C)
- logP
- 4.05Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed92.8% of notifiers
- H311 Toxic in contact with skin11.6% of notifiers
- H315 Causes skin irritation11.6% of notifiers
- H331 Toxic if inhaled11.6% of notifiers
- H332 Harmful if inhaled11.6% of notifiers
- H400 Very toxic to aquatic life91.3% of notifiers
- H410 Very toxic to aquatic life with long lasting effects81.2% of notifiers
Aggregated from 69 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P332+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
132-65-0SMILES
c1ccc2c(c1)sc1ccccc12InChIKey
IYYZUPMFVPLQIF-UHFFFAOYSA-NInChI
InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 2,2′-Biphenylylene sulfide
- Diphenylene sulfide
- 9-Thiafluorene
- [1,1′-Biphenyl]-2,2′-diyl sulfide
- Dibenzo[b,d]thiophene
- DBT
- NSC 2843
Work with Dibenzothiophene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Thioxanthone492-22-865 % similar
2-Iododibenzothiophene177586-41-358 % similar
2-Bromodibenzothiophene22439-61-858 % similar
3-Dibenzothiophenamine25288-76-058 % similar
2-Dibenzothiophenamine7428-91-358 % similar
3-Bromodibenzo(b,d)thiophene97511-04-158 % similar
4-Bromodibenzothiophene97511-05-257 % similar
Benzo(b)naphtho(1,2-d)thiophene205-43-654 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.