1,3,4-Thiadiazol-2-amine, 5-(1-methyl-4-nitro-1H-pyrrol-2-yl)-
Basic information
- CAS
39504-29-5- Standard SMILES
Cn1cc([N+](=O)[O-])cc1-c1nnc(N)s1- InChIKey
BGYILNRDWRTWKG-UHFFFAOYSA-N- Molecular formula
- C7H7N5O2S
- Average molar mass
- 225.23 g/mol
- Monoisotopic mass
- 225.03204566
Names & identifiers
- Preferred name
- 1,3,4-Thiadiazol-2-amine, 5-(1-methyl-4-nitro-1H-pyrrol-2-yl)-
- IUPAC
- 5-(1-methyl-4-nitropyrrol-2-yl)-1,3,4-thiadiazol-2-amine
Names & synonyms
39504-29-5DTXSID704356881,3,4-Thiadiazol-2-amine, 5-(1-methyl-4-nitro-1H-pyrrol-2-yl)-RefChem:217009DTXCID603865145-(1-Methyl-4-nitro-1H-pyrrol-2-yl)-1,3,4-thiadiazol-2-amine
Database identifiers
- CAS
39504-29-5- PubChem CID
- 10105074
- DTXSID
DTXSID70435688
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
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Related reactions
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Compound notes
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