Basic information
- CAS
302902-55-2- Standard SMILES
O=C(CSc1nnnn1-c1ccccc1)Nc1ccccc1- InChIKey
UBCIOVZZCDKTCB-UHFFFAOYSA-N- Molecular formula
- C15H13N5OS
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.08408123
Names & identifiers
- Preferred name
- N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
- IUPAC
- N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
- English name
- N-phenyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamide
- Molecular formula
- C15H13N5OS
- Molecular weight
- 311.36
Names & synonyms
302902-55-2N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamideN-phenyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamideCHEMBL1427222N-Phenyl-2-(1-phenyl-1H-tetrazol-5-ylsulfanyl)-acetamideN-phenyl-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetamideN-phenyl-2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamideCBMicro_032338MLS001212336UBCIOVZZCDKTCB-UHFFFAOYSA-NDTXSID001330064HMS2826B07
Show more names
N-PHENYL-2-((1-PHENYL-1H-TETRAAZOL-5-YL)THIO)ACETAMIDEAcetamide, N-phenyl-2-[(1-phenyl-1H-tetrazol-5-yl)thio]-
BDBM50613818CCG-25974STK202622AKOS000525554EBC-612044SMR000505102BIM-0032446.P001UPCMLD0ENAT0513-8783:001
Database identifiers
- CAS
302902-55-2- PubChem CID
- 702136
- DTXSID
DTXSID001330064- ChEMBL
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
Solubility1.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.70(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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