3-(4-Amino-1,2,5-oxadiazol-3-yl)-2-imino-4-thiazolidinone
Basic information
- CAS
312536-71-3- Standard SMILES
N=C1SCC(=O)N1c1nonc1N- InChIKey
NZILYFRQOWYXOG-UHFFFAOYSA-N- Molecular formula
- C5H5N5O2S
- Average molar mass
- 199.19 g/mol
- Monoisotopic mass
- 199.01639559
Names & identifiers
- Preferred name
- 3-(4-Amino-1,2,5-oxadiazol-3-yl)-2-imino-4-thiazolidinone
- IUPAC
- 3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-1,3-thiazolidin-4-one
- English name
- 4-Thiazolidinone, 3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-
- Molecular formula
- C5H5N5O2S
- Molecular weight
- 199.19
Names & synonyms
312536-71-3RefChem:4925583-(4-Amino-1,2,5-oxadiazol-3-yl)-2-imino-4-thiazolidinone111-300-73-(4-Amino-1,2,5-oxadiazol-3-yl)-2-imino-1,3-thiazolidin-4-one3-(4-Amino-1,2,5-oxadiazol-3-yl)-2-iminothiazolidin-4-one3-(4-amino(1,2,5-oxadiazol-3-yl))-2-imino-1,3-thiazolidin-4-oneNZILYFRQOWYXOG-UHFFFAOYSA-NSBB000382STK675527AKOS005594068ST016622
Show more names
4-Thiazolidinone, 3-(4-amino-1,2,5-oxadiazol-3-yl)-2-imino-
CS-0359511EU-0085441AG-205/13051289SR-01000524909SR-01000524909-1Furazan-3-amine, 4-(2-imino-4-oxo-3-thiazolidinyl)-3-(4-Amino-1,2,5-oxadiazol-3-yl)-2-imino-1,3-thiazolidin-4-one #
Database identifiers
- CAS
312536-71-3- PubChem CID
- 588485
- EC Number
- 111-300-7
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 365.4 · 365.4±52.0 °C(Predicted)
- Density
- 2.26 · 2.26±0.1 g/cm3(Predicted)
- form
- solid
- pka
- 0.28 · 0.28±0.15(Predicted)
- InChI
- 1S/C5H5N5O2S/c6-3-4(9-12-8-3)10-2(11)1-13-5(10)7/h7H,1H2,(H2,6,8)
- InChIKey
- NZILYFRQOWYXOG-UHFFFAOYSA-N
- SMILES
- O=C(N1C2=NON=C2N)CSC1=N
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H410
- Precautionary statements
- 264 · P264-P273-P280-P337+P313-P391
- WGK Germany
- 3 · WGK 3
- HS Code
- 2934999090 · 2934999090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
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]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P273-P280-P337+P313-P391
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Compound notes
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