Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate
Basic information
- CAS
680988-25-4- Standard SMILES
COC(=O)CSc1nnc(SCc2ccc(OC)cc2)s1- InChIKey
OQTHMICKAYPLST-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3S3
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.01665583
Names & identifiers
- Preferred name
- Methyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetate
- IUPAC
- methyl 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
- English name
- SALOR-INT L467065-1EA
- Molecular formula
- C13H14N2O3S3
- Molecular weight
- 342.46
Names & synonyms
680988-25-4methyl ({5-[(4-methoxybenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetateMethyl ((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetateRefChem:811866657-624-7Methyl 2-((5-((4-methoxybenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetateSMR000078595MLS000065130CHEMBL1412866HMS2523J17AKOS002192251methyl 2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
Show more names
SALOR-INT L467065-1EA
ST50085565methyl ({5-[(4-methoxybenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetatemethyl 2-{5-[(4-methoxyphenyl)methylthio]-1,3,4-thiadiazol-2-ylthio}acetate
Database identifiers
- CAS
680988-25-4- PubChem CID
- 974147
- ChEMBL
CHEMBL1412866- EC Number
- 657-624-7
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…