Basic information
- CAS
4703-95-1- Standard SMILES
O=C1CSC(=S)N1Cc1ccco1- InChIKey
POEGXFNVFURMLC-UHFFFAOYSA-N- Molecular formula
- C8H7NO2S2
- Average molar mass
- 213.3 g/mol
- Monoisotopic mass
- 212.99182081
Names & identifiers
- Preferred name
- 3-Furfuryl-rhodanine
- IUPAC
- 3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 3-(2-furylmethyl)-2-sulfanylidene-thiazolidin-4-one
- Molecular formula
- C8H7NO2S2
- Molecular weight
- 213.28
Names & synonyms
3-FURFURYL-RHODANINERefChem:502120665-072-34703-95-13-Furan-2-ylmethyl-2-thioxo-thiazolidin-4-one3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one3-(2-Furylmethyl)-2-thioxo-1,3-thiazolidin-4-one3-[(furan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one3-(Furan-2-ylmethyl)-2-thioxothiazolidin-4-one4-Thiazolidinone,3-(2-furanylmethyl)-2-thioxo-Thiazolidin-4-one, 3-furfuryl-2-thioxo-furfurylrhodanine
Show more names
3-(2-furylmethyl)-2-sulfanylidene-thiazolidin-4-one
furfuryl rhodanineMFCD00030652SCHEMBL5728014DTXSID10339631EAA70395CCG-56524STL363569AKOS000297111
Database identifiers
- CAS
4703-95-1- PubChem CID
- 557397
- DTXSID
DTXSID10339631- EC Number
- 665-072-3
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 90.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 73 · 73-74 °C(Solv: methanol (67-56-1))
- Boiling point
- 331 · 331.0±44.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- pka
- -1.94 · -1.94±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
3 records
Compound notes
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