Basic information
- Standard SMILES
Oc1ccccc1C(=S)S- InChIKey
AJQLEJAVGARHGQ-UHFFFAOYSA-N- Molecular formula
- C7H6OS2
- Average molar mass
- 170.3 g/mol
- Monoisotopic mass
- 169.98600716
Names & identifiers
- Preferred name
- 2-Hydroxydithiobenzoic acid
- IUPAC
- 2-hydroxybenzenecarbodithioic acid
- English name
- dithiosalicylic acid
- Molecular formula
- C7H6OS2
- Molecular weight
- 170.25
Names & synonyms
Show more names
Database identifiers
- CAS
527-89-9- PubChem CID
- 68243
- DTXSID
DTXSID60870584- ChEBI
CHEBI:37999- UNII
- 8LV29H49A3
- EC Number
- 208-428-1
- Nikkaji
- J134.622I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 48 · 48-50°
- Boiling point
- 269.91 °C · 269.91°C (rough estimate)
- Density
- 1.3611 · 1.3611 (rough estimate)
- refractive index
- 1.597 · 1.5970 (estimate)
- FDA UNII
- 8 LV29H49A3 · 8LV29H49A3
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
Danger
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.;There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory information
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers6 total
Additional notes
DefinitionChEBI: Dithiosalicylic acid is a dithiocarboxylic acid. It has a role as a non-steroidal anti-inflammatory drug.
Related reactions
Linked notes
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