Basic information
- CAS
24240-47-9- Standard SMILES
CCN(CC)C(=S)SCn1ncc2ccc([N+](=O)[O-])cc21- InChIKey
BANLSHUCPWZBQJ-UHFFFAOYSA-N- Molecular formula
- C13H16N4O2S2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.07146811
Names & identifiers
- Preferred name
- (6-Nitro-1h-indazol-1-yl)methyl diethylcarbamodithioate
- IUPAC
- (6-nitroindazol-1-yl)methyl N,N-diethylcarbamodithioate
Names & synonyms
24240-47-9(6-nitro-1h-indazol-1-yl)methyl diethylcarbamodithioateNSC107982DTXSID80296146NSC-107982
Database identifiers
- CAS
24240-47-9- PubChem CID
- 267993
- DTXSID
DTXSID80296146
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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