Basic information
- CAS
17534-14-4- Standard SMILES
Sc1c2ccccc2cc2ccccc12- InChIKey
CTUXILQBEJGEAT-UHFFFAOYSA-N- Molecular formula
- C14H10S
- Average molar mass
- 210.3 g/mol
- Monoisotopic mass
- 210.05032149
Names & identifiers
- Preferred name
- 9-Anthracenethiol
- IUPAC
- anthracene-9-thiol
Names & synonyms
9-Anthracenethiol17534-14-4DTXSID60294988RefChem:312948DTXCID80246126anthracene-9-thiol9-MercaptoanthracenNSC99127starbld0034566SCHEMBL2341333SCHEMBL2779798NSC-99127
Database identifiers
- CAS
17534-14-4- PubChem CID
- 264192
- DTXSID
DTXSID60294988- EC Number
- 685-991-3
- Nikkaji
- J2.315.451J
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
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, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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