Basic information
- CAS
122327-85-9- Standard SMILES
C=CC1CN=C(Nc2ccccc2)S1- InChIKey
HQQCIYSNQIQLBA-UHFFFAOYSA-N- Molecular formula
- C11H12N2S
- Average molar mass
- 204.29 g/mol
- Monoisotopic mass
- 204.07211956
Overview
implicated in Spanish toxic oil syndrome
Names & identifiers
- Preferred name
- N-(5-Vinyl-1,3-thiazolidin-2-ylidene)phenylamine
- IUPAC
- 5-ethenyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine
- English name
- N-(5-vinyl-1,3-thiazolidin-2-ylidene)phenylamine
- Molecular formula
- C11H12N2S
- Molecular weight
- 204.29
Names & synonyms
122327-85-9N-(5-Vinyl-1,3-thiazolidin-2-ylidene)phenylamineRefChem:1622455-ethenyl-N-phenyl-4,5-dihydro-1,3-thiazol-2-amine5-VtpaDTXSID209241332-Thiazolamine, 5-ethenyl-4,5-dihydro-N-phenyl-
Database identifiers
- CAS
122327-85-9- PubChem CID
- 129698
- DTXSID
DTXSID20924133- Nikkaji
- J674.317J
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Melting point
- 77 · 77-78 °C
- Boiling point
- 317 · 317.0±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 7 · 7.00±0.40(Predicted)
Chemistry & industry
Suppliers1 total
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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