Basic information
- CAS
55864-39-6- Standard SMILES
CSc1noc(N)n1- InChIKey
QMHFEVITMKZCAB-UHFFFAOYSA-N- Molecular formula
- C3H5N3OS
- Average molar mass
- 131.16 g/mol
- Monoisotopic mass
- 131.01533297
Names & identifiers
- Preferred name
- 3-(Methylsulfanyl)-1,2,4-oxadiazol-5-amine
- IUPAC
- 3-methylsulfanyl-1,2,4-oxadiazol-5-amine
- English name
- 1,2,4-Oxadiazol-5-amine,3-(methylthio)-(9CI)
- Molecular formula
- C3H5N3OS
- Molecular weight
- 131.16
Names & synonyms
3-(methylsulfanyl)-1,2,4-oxadiazol-5-amineDTXSID10319372RefChem:495541DTXCID70270495976-912-655864-39-63-(methylthio)-1,2,4-oxadiazol-5-amine3-methylsulfanyl-1,2,4-oxadiazol-5-amine1,2,4-Oxadiazol-5-amine,3-(methylthio)-(9CI)1,2,4-Oxadiazol-5-amine,3-(methylthio)-MFCD03419888NSC344509
Show more names
1,2,4-Oxadiazol-5-amine, 3-(methylthio)-
ALBB-033104STK429815AKOS000118332NSC-344509DA-17062LS-124603-methylthio-1,2,4-oxadiazole-5-ylamineST50829641
Database identifiers
- CAS
55864-39-6- PubChem CID
- 335397
- DTXSID
DTXSID10319372- EC Number
- 976-912-6
- Nikkaji
- J1.442.447D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 90.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.9
Physicochemical properties
- Density
- 1.38 · 1.380 (estimate)
- refractive index
- 1.749 · 1.7490 (estimate)
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers4 total
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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