Basic information
- CAS
20928-02-3- Standard SMILES
Cc1ccc2sc3ccccc3c2c1- InChIKey
VHUXLBLPAMBOJS-UHFFFAOYSA-N- Molecular formula
- C13H10S
- Average molar mass
- 198.29 g/mol
- Monoisotopic mass
- 198.05032149
Names & identifiers
- Preferred name
- 2-Methyl-dibenzothiophene
- IUPAC
- 2-methyldibenzothiophene
- English name
- Methyldibenzothiophene
- Molecular formula
- C13H10S
- Molecular weight
- 198.29
Names & synonyms
2-methyl-dibenzothiopheneRefChem:475860621-740-62-METHYLDIBENZOTHIOPHENE20928-02-32-Methyldibenzo[b,d]thiopheneMETHYLDIBENZOTHIOPHENEDibenzothiophene, 2-methyl-30995-64-3Dibenzo[b]thiophene, 2-methylDibenzothiophene, methyl-Methyldibenzothiophene, 2-
Show more names
SCHEMBL257003SCHEMBL21295646SCHEMBL21295690SCHEMBL21296152SCHEMBL28573918DTXSID90904785MFCD00093074AKOS006275434
Database identifiers
- CAS
20928-02-3、30995-64-3- PubChem CID
- 35700
- DTXSID
DTXSID90904785- EC Number
- 621-740-6
- Nikkaji
- J467.071J
Properties
Computed structural properties
- XLogP
- 4.7
- 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
Experimental & physicochemical properties
PolymersPolycyclic aromatic compound
Physicochemical properties
- EPA Substance Registry System
- Methyldibenzothiophene (30995-64-3)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
2 records
Compound notes
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