Benzamide, N-(2-methyl-1,3,4-thiadiazol-5-yl)-4-nitro-
Basic information
- CAS
36855-77-3- Standard SMILES
Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1- InChIKey
UHWVXZUPIKULKG-UHFFFAOYSA-N- Molecular formula
- C10H8N4O3S
- Average molar mass
- 264.26 g/mol
- Monoisotopic mass
- 264.0317113
Names & identifiers
- Preferred name
- Benzamide, N-(2-methyl-1,3,4-thiadiazol-5-yl)-4-nitro-
- IUPAC
- N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
- English name
- N-(5-Methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamide
- Molecular formula
- C10H8N4O3S
- Molecular weight
- 264.26
Names & synonyms
36855-77-3BRN 0814193Benzamide, N-(2-methyl-1,3,4-thiadiazol-5-yl)-4-nitro-N-(2-Methyl-1,3,4-thiadiazol-5-yl)-4-nitrobenzamideDTXSID70190341RefChem:322253DTXCID80112832n-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzamideOprea1_056853Oprea1_816769SCHEMBL2179411UHWVXZUPIKULKG-UHFFFAOYSA-N
Show more names
TOSLAB 855555Benzamide, N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-nitro-
STK853158STL445164AKOS000731127AKOS005630295ST50223952N-(5-methyl(1,3,4-thiadiazol-2-yl))(4-nitrophenyl)carboxamideN-[(2E)-5-methyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-nitrobenzamide
Database identifiers
- CAS
36855-77-3- PubChem CID
- 215957
- DTXSID
DTXSID70190341- Nikkaji
- J54.829D
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 328
Physicochemical properties
- Density
- 1.533 · 1.533±0.06 g/cm3(Predicted)
- pka
- 6.66 · 6.66±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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