1,3,4-Thiadiazole, 2,5-bis(octyldithio)-
Basic information
- CAS
13539-13-4- Standard SMILES
CCCCCCCCSSc1nnc(SSCCCCCCCC)s1- InChIKey
ZFOMEJJNWNWWIB-UHFFFAOYSA-N- Molecular formula
- C18H34N2S5
- Average molar mass
- 438.8 g/mol
- Monoisotopic mass
- 438.13255496
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazole, 2,5-bis(octyldithio)-
- IUPAC
- 2,5-bis(octyldisulfanyl)-1,3,4-thiadiazole
- English name
- 2,5-Bis(octyldithio)-1,3,4-thiadiazole
- Molecular formula
- C18H34N2S5
- Molecular weight
- 438.8
Names & synonyms
2,5-Bis(octyldithio)-1,3,4-thiadiazole1,3,4-Thiadiazole, 2,5-bis(octyldithio)-EINECS 236-912-2DTXSID00740011,3,4-Thiadiazole, 2,5-bis(n-octyldithio)-RefChem:72249DTXCID9034317236-912-213539-13-42,5-bis(octyldisulfanyl)-1,3,4-thiadiazoleSCHEMBL283431ZFOMEJJNWNWWIB-UHFFFAOYSA-N
Show more names
TH561as cuvan 8261,3,4-ThiadiazoT561 Thiadiazole Derivative2,5-Bis(octyldithio)thiadiazole2,5-Bis(n-octyldithio)thiadiazolenew Metallic passivator antioxidant2,5-DiMercaptothiadiazole derivative
AKOS0281085242,5-bis(octyldithio)-1,3,4-thiadiazolNS00019547
Database identifiers
- CAS
13539-13-4- PubChem CID
- 83568
- DTXSID
DTXSID0074001- EC Number
- 236-912-2
- Nikkaji
- J38.329E
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 551 · 551.0±33.0 °C(Predicted)
- Density
- 1.088 g/cm3 · 1.088 g/cm3
- pka
- -2.85 · -2.85±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1,3,4-Thiadiazole, 2,5-bis(octyldithio)- (13539-13-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H319-H317-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 0.9% (2 of 231) of reports.
Warning
H315 (91.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P317, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 231 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1,3,4-Thiadiazole, 2,5-bis(octyldithio)-
1,3,4-Thiadiazole, 2,5-bis(octyldithio)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,4-Thiadiazole, 2,5-bis(octyldithio)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
1,3,4-Thiadiazole, 2,5-bis(octyldithio)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (91.8%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H319-H317-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 652,617 lb
Consumer UsesCorrosion inhibitor
Industry UsesLubricating agent
General Manufacturing Information
Petroleum Lubricating Oil and Grease Manufacturing
1,3,4-Thiadiazole, 2,5-bis(octyldithio)-: ACTIVE
Applications
Usesnew metallic passivator antioxidant ; Thiadiazole derivative; lubricant antioxidant additive
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…