Basic information
- CAS
138841-20-0- Standard SMILES
NC(=O)CSc1nnnn1-c1ccccc1- InChIKey
AIVNQNXPQBKRAP-UHFFFAOYSA-N- Molecular formula
- C9H9N5OS
- Average molar mass
- 235.27 g/mol
- Monoisotopic mass
- 235.0527811
Names & identifiers
- Preferred name
- 2-(1-Phenyltetrazol-5-yl)sulfanylacetamide
- IUPAC
- 2-(1-phenyltetrazol-5-yl)sulfanylacetamide
- English name
- 2-[(1-PHENYL-1H-TETRAZOL-5-YL)THIO]ACETAMIDE
- Molecular formula
- C9H9N5OS
- Molecular weight
- 235.27
Names & synonyms
138841-20-02-(1-phenyltetrazol-5-yl)sulfanylacetamide2-((1-phenyl-1H-tetrazol-5-yl)thio)acetamideAcetamide, 2-[(1-phenyl-1H-tetrazol-5-yl)thio]-2-[(1-Phenyl-1H-tetrazol-5-yl)thio]acetamide2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamideF0212-00722-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]acetamideTimTec1_001863CBDivE_001605DTXSID10351999HMS1539E15
Show more names
TIMTEC-BB SBB000737(1-phenyltetrazol-5-ylthio)acetamide
SMSSF-0040190STK188042AKOS000295364CCG-103464SDCCGMLS-0065432.P001ST024955(1-phenyl-1H-tetraazol-5-ylthio)acetamideCS-0306646
Database identifiers
- CAS
138841-20-0- PubChem CID
- 716331
- DTXSID
DTXSID10351999
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 508.1 · 508.1±52.0 °C(Predicted)
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 15 · 15.00±0.40(Predicted)
Chemistry & industry
Suppliers4 total
Carbone Scientific CO., LTD[email protected]
TIMTEC-BB[email protected]
ZERENEX[email protected]
3B Scientific Corporation[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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