Basic information
- CAS
477329-72-9- Standard SMILES
NC(=O)CSc1nnc(SCc2ccc(F)cc2)s1- InChIKey
CSGRWNXDPDGOOX-UHFFFAOYSA-N- Molecular formula
- C11H10FN3OS3
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 314.99700363
Names & identifiers
- Preferred name
- 2-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-YL)thio)acetamide
- IUPAC
- 2-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
- English name
- SALOR-INT L243205-1EA
- Molecular formula
- C11H10FN3OS3
- Molecular weight
- 315.41
Names & synonyms
477329-72-92-((5-((4-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetamide2-({5-[(4-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)acetamideRefChem:449396650-758-72-({5-[(4-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetamideMLS000662269CHEMBL1570030HMS2629C24STK021361AKOS0053785542-[[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
Show more names
SALOR-INT L243205-1EAAcetamide, 2-[[5-[[(4-fluorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]thio]-
SMR000293166ST50425406SR-01000268983SR-01000268983-1Z245110482-{5-[(4-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-ylthio}acetamide
Database identifiers
- CAS
477329-72-9- PubChem CID
- 950392
- ChEMBL
CHEMBL1570030- EC Number
- 650-758-7
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 546.1 · 546.1±60.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 14.93 · 14.93±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-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, 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
- H302-H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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