2,5-Diacetamido-1,3,4-thiadiazole
Basic information
- CAS
31736-97-7- Standard SMILES
CC(=O)Nc1nnc(NC(C)=O)s1- InChIKey
WNFWPKKXILWSAT-UHFFFAOYSA-N- Molecular formula
- C6H8N4O2S
- Average molar mass
- 200.22 g/mol
- Monoisotopic mass
- 200.03679668
Names & identifiers
- Preferred name
- 2,5-Diacetamido-1,3,4-thiadiazole
- IUPAC
- N-(5-acetamido-1,3,4-thiadiazol-2-yl)acetamide
- English name
- 2,5-Diacetamido-1,3,4-thiadiazole
- Molecular formula
- C6H8N4O2S
- Molecular weight
- 200.22
Names & synonyms
2,5-DIACETAMIDO-1,3,4-THIADIAZOLERefChem:444202653-096-731736-97-7N-(5-acetamido-1,3,4-thiadiazol-2-yl)acetamideN,N'-(1,3,4-Thiadiazole-2,5-diyl)diacetamiden,n'-1,3,4-thiadiazole-2,5-diyldiacetamideNSC119942SCHEMBL629408DTXSID30953676WNFWPKKXILWSAT-UHFFFAOYSA-NAKOS024323620
Show more names
2,5-bis-acetylamino-[1,3,4]thiadiazole
NSC-119942acetamide, N,N'-1,3,4-thiadiazole-2,5-diylbis-N,N'-(1,3,4-Thiadiazole-2,5-diyl)diethanimidic acid
Database identifiers
- CAS
31736-97-7- PubChem CID
- 274137
- DTXSID
DTXSID30953676- EC Number
- 653-096-7
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Density
- 1.522 · 1.522±0.06 g/cm3(Predicted)
- pka
- 8.91 · 8.91±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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