n,n-Dimethyl-5-nitro-1,3,4-thiadiazol-2-amine
Basic information
- CAS
26947-20-6- Standard SMILES
CN(C)c1nnc([N+](=O)[O-])s1- InChIKey
OHIOYYBJZHSRIZ-UHFFFAOYSA-N- Molecular formula
- C4H6N4O2S
- Average molar mass
- 174.18 g/mol
- Monoisotopic mass
- 174.02114662
Names & identifiers
- Preferred name
- n,n-Dimethyl-5-nitro-1,3,4-thiadiazol-2-amine
- IUPAC
- N,N-dimethyl-5-nitro-1,3,4-thiadiazol-2-amine
Names & synonyms
n,n-dimethyl-5-nitro-1,3,4-thiadiazol-2-amineNSC16305426947-20-6DTXSID60303862NSC-163054
Database identifiers
- CAS
26947-20-6- PubChem CID
- 294485
- DTXSID
DTXSID60303862- Nikkaji
- J622.727I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 159
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Compound notes
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