Basic information
- CAS
6300-82-9- Standard SMILES
C=CCNC(=S)NNc1ccc([N+](=O)[O-])cn1- InChIKey
ATTHYENPBLMLDI-UHFFFAOYSA-N- Molecular formula
- C9H11N5O2S
- Average molar mass
- 253.28 g/mol
- Monoisotopic mass
- 253.06334578
Names & identifiers
- Preferred name
- 2-(5-Nitropyridin-2-yl)-N-(prop-2-en-1-yl)hydrazine-1-carbothioamide
- IUPAC
- 1-[(5-nitro-2-pyridinyl)amino]-3-prop-2-enylthiourea
Names & synonyms
6300-82-9NSC44117DTXSID60398076NSC-441172-(5-Nitropyridin-2-yl)-N-(prop-2-en-1-yl)hydrazine-1-carbothioamide
Database identifiers
- CAS
6300-82-9- PubChem CID
- 3935635
- DTXSID
DTXSID60398076
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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