Basic information
- CAS
55883-90-4- Standard SMILES
CSC(=C(C#N)C#N)N1CCOCC1- InChIKey
ROSNJPXJYAQFCN-UHFFFAOYSA-N- Molecular formula
- C9H11N3OS
- Average molar mass
- 209.27 g/mol
- Monoisotopic mass
- 209.06228297
Names & identifiers
- Preferred name
- 2-[(Methylsulfanyl)(morpholin-4-yl)methylidene]propanedinitrile
- IUPAC
- 2-[methylsulfanyl(morpholin-4-yl)methylidene]propanedinitrile
- English name
- (Methylthio)(morpholin-4-yl)methylene]malononitrile
- Molecular formula
- C9H11N3OS
- Molecular weight
- 209.27
Names & synonyms
55883-90-42-[(methylsulfanyl)(morpholin-4-yl)methylidene]propanedinitrile2-((Methylthio)(morpholino)methylene)malononitrile2-[methylsulfanyl(morpholin-4-yl)methylidene]propanedinitrile[(methylthio)(morpholin-4-yl)methylene]malononitrileHMS1746G21SCHEMBL6187561DTXSID50364801ROSNJPXJYAQFCN-UHFFFAOYSA-NAKOS027384316CS-0234026EN300-13802
Show more names
Propanedinitrile, 2-[(methylthio)-4-morpholinylmethylene]-
G35281SR-01000071139SR-01000071139-12-[methylsulfanyl(morpholino)methylene]propanedinitrileZ945992033-(morpholin-4-yl)-3methylsulfanyl-2-cyanoacrylonitrile[(Methylsulfanyl)(morpholin-4-yl)methylidene]propanedinitrile
Database identifiers
- CAS
55883-90-4- PubChem CID
- 1704448
- DTXSID
DTXSID50364801- EC Number
- 139-093-9
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 308
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, 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. 3 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
Related reactions
1 records
Compound notes
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