2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3-chlorophenyl)acetamide
Basic information
- CAS
477331-45-6- Standard SMILES
O=C(CSc1nnc(SCc2ccccc2)s1)Nc1cccc(Cl)c1- InChIKey
METFVZZELZJGLQ-UHFFFAOYSA-N- Molecular formula
- C17H14ClN3OS3
- Average molar mass
- 408 g/mol
- Monoisotopic mass
- 406.9987533
Names & identifiers
- Preferred name
- 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)-N-(3-chlorophenyl)acetamide
- IUPAC
- 2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
- English name
- SALOR-INT L245003-1EA
- Molecular formula
- C17H14ClN3OS3
- Molecular weight
- 407.96
Names & synonyms
477331-45-62-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(3-chlorophenyl)acetamideRefChem:449616650-698-12-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N-(3-chlorophenyl)acetamideSTL308069AKOS002174061ST50060398N-(3-chlorophenyl)-2-[5-(phenylmethylthio)(1,3,4-thiadiazol-2-ylthio)]acetamid eSALOR-INT L245003-1EAAcetamide, N-(3-chlorophenyl)-2-[[5-[(phenylmethyl)thio]-1,3,4-thiadiazol-2-yl]thio]-
Database identifiers
- CAS
477331-45-6- PubChem CID
- 1543091
- EC Number
- 650-698-1
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H413-H302-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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, P273, 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-H315-H413-H302-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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