2-Furaldehyde, 5-nitro-, thiosemicarbazone
Basic information
- CAS
146827-83-0- Standard SMILES
NC(=S)N/N=C/c1ccc([N+](=O)[O-])o1- InChIKey
XWUHTDIIQSYUDH-FPYGCLRLSA-N- Molecular formula
- C6H6N4O3S
- Average molar mass
- 214.2 g/mol
- Monoisotopic mass
- 214.01606124
Names & identifiers
- Preferred name
- 2-Furaldehyde, 5-nitro-, thiosemicarbazone
- IUPAC
- [(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea
- English name
- 5-nitro-2-furaldehyde thiosemicarbazone
- Molecular formula
- C6H6N4O3S
- Molecular weight
- 214.2
Names & synonyms
5-Nitro-2-furaldehyde thiosemicarbazoneBenzazon VII831-71-0SHCH-49USAF EA-145-Nitro-2-furfural thiosemicarbazone5-Nitro-2-furfurylidene thiosemicarbazoneNSC 64582-FURALDEHYDE, 5-NITRO-, THIOSEMICARBAZONEAI3-62410Hydrazinecarbothioamide, 2-[(5-nitro-2-furanyl)methylene]-Hydrazinecarbothioamide, 2-((5-nitro-2-furanyl)methylene)-
Show more names
(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinecarbothioamideHydrazinecarbothioamide, 2-[(5-nitro-2-furanyl)methylene]-, (2E)-
RefChem:261189Hydrazinecarbothioamide, 2-((5-nitro-2-furanyl)methylene)-(9CI)Benzazone-VII5-Nitrofurfural thiosemicarbazoneNSC6458NSC-6458146827-83-0[(E)-(5-nitrofuran-2-yl)methylideneamino]thiourea
Database identifiers
- CAS
146827-83-0、831-71-0- PubChem CID
- 5452233
- DTXSID
DTXSID40878886- ChEMBL
CHEMBL1632301- UNII
- TYR4JM9HP6
- Nikkaji
- J12.255F、J515.615G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
LogP1.64
Physicochemical properties
- Boiling point
- 381.6 · 381.6±52.0 °C(Predicted)
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- 10.91 · 10.91±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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