Basic information
- CAS
153750-93-7- Standard SMILES
NC(=S)N/N=C/c1ccco1- InChIKey
ZLHKUOXVUSHCLN-XBXARRHUSA-N- Molecular formula
- C6H7N3OS
- Average molar mass
- 169.21 g/mol
- Monoisotopic mass
- 169.03098303
Names & identifiers
- Preferred name
- 2-Furaldehyde thiosemicarbazone
- IUPAC
- [(E)-furan-2-ylmethylideneamino]thiourea
- English name
- [(furan-2-ylmethylidene)amino]thiourea
- Molecular formula
- C6H7N3OS
- Molecular weight
- 169.2
Names & synonyms
2-furaldehyde thiosemicarbazoneRefChem:472730667-476-5[(E)-furan-2-ylmethylideneamino]thiourea2-(Furan-2-ylmethylene)hydrazinecarbothioamideMD436TU49C153750-93-7CHEMBL1818876NSC-9944NSC-274742-Furancarboxaldehyde thiosemicarbazone(2E)-2-(2-Furanylmethylene)hydrazinecarbothioamide
Show more names
[(furan-2-ylmethylidene)amino]thiourea
Hydrazinecarbothioamide, 2-(2-furanylmethylene)-, (2E)-{[(furan-2-yl)methylidene]amino}thioureaUNII-MD436TU49CSCHEMBL82905492-furaldehyde thiose-micarbazoneDTXSID00878903NSC9944HMS1607B20
Database identifiers
- CAS
153750-93-7、5419-96-5- PubChem CID
- 6436744
- DTXSID
DTXSID00878903- ChEMBL
CHEMBL1818876- UNII
- MD436TU49C
- EC Number
- 667-476-5
- Nikkaji
- J892.021D
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 154 °C · 154 °C
- Boiling point
- 294.9 · 294.9±32.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 11.35 · 11.35±0.70(Predicted)
- FDA UNII
- 436 TU49C · MD436TU49C
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, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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