Basic information
- CAS
61485-25-4- Standard SMILES
CCOC(=O)C(C#N)=C(Nc1ccccc1)SC- InChIKey
SXJJUZCQEIWUAO-UHFFFAOYSA-N- Molecular formula
- C13H14N2O2S
- Average molar mass
- 262.33 g/mol
- Monoisotopic mass
- 262.07759869
Names & identifiers
- Preferred name
- Ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate
- IUPAC
- ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoate
- English name
- ETHYL 2-NITRILO-3-METHYLTHIO-3-(PHENYLAMINO)PROP-2-ENOATE
- Molecular formula
- C13H14N2O2S
- Molecular weight
- 262.33
Names & synonyms
61485-25-4ethyl 3-anilino-2-cyano-3-methylsulfanylprop-2-enoateethyl (Z)-3-anilino-2-cyano-3-(methylsulfanyl)-2-propenoateethyl 2-cyano-3-(methylsulfanyl)-3-(phenylamino)prop-2-enoateMS-6201SCHEMBL7488989Ethyl 3-anilino-2-cyano-3-methylsulfanyl-prop-2-enoateDTXSID60400769SXJJUZCQEIWUAO-UHFFFAOYSA-NLCA48525MFCD02661957AKOS005110509
Show more names
ETHYL 2-NITRILO-3-METHYLTHIO-3-(PHENYLAMINO)PROP-2-ENOATE2-Propenoic acid, 2-cyano-3-(methylthio)-3-(phenylamino)-, ethyl ester
ethyl 2-cyano-3-methylthio-3-phenylaminoacrylateethyl 3-phenylamino-3-methylthio-2-cyanoacrylateEthyl 3-anilino-2-cyano-3-(methylsulfanyl)prop-2-enoate
Database identifiers
- CAS
61485-25-4- PubChem CID
- 4200299
- DTXSID
DTXSID60400769
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
Carbone Scientific CO., LTD[email protected]
MENAI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
3B Scientific Corporation[email protected]
Related reactions
4 records
Compound notes
Loading…