Urea, N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(4-nitrophenyl)-
Basic information
- CAS
61538-01-0- Standard SMILES
Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1- InChIKey
RHTRJINWAFTKMI-UHFFFAOYSA-N- Molecular formula
- C10H9N5O3S
- Average molar mass
- 279.28 g/mol
- Monoisotopic mass
- 279.04261034
Names & identifiers
- Preferred name
- Urea, N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(4-nitrophenyl)-
- IUPAC
- 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(4-nitrophenyl)urea
Names & synonyms
61538-01-0DTXSID70389213Urea, N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-(4-nitrophenyl)-RefChem:388070DTXCID00340074Oprea1_305616SCHEMBL11870109AKOS000542013SR-01000313409SR-01000313409-1N-(5-Methyl-1,3,4-thiadiazol-2-yl)-N'-(4-nitrophenyl)urea
Database identifiers
- CAS
61538-01-0- PubChem CID
- 3099809
- DTXSID
DTXSID70389213
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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