Basic information
- CAS
3751-46-0- Standard SMILES
N#CCCSc1nnnn1-c1ccccc1- InChIKey
MRIBCCHYZOSDOM-UHFFFAOYSA-N- Molecular formula
- C10H9N5S
- Average molar mass
- 231.28 g/mol
- Monoisotopic mass
- 231.05786648
Names & identifiers
- Preferred name
- Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-
- IUPAC
- 3-(1-phenyltetrazol-5-yl)sulfanylpropanenitrile
- English name
- 3-[(1-phenyl-1H-tetrazol-5-yl)thio]propiononitrile
- Molecular formula
- C10H9N5S
- Molecular weight
- 231.27696
Names & synonyms
Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-EINECS 223-153-7DTXSID4063165Propanenitrile, 3-((1-phenyl-1H-tetrazol-5-yl)thio)-RefChem:869009DTXCID10393493751-46-03-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propanenitrile3-((1-Phenyl-1H-tetrazol-5-yl)thio)propiononitrileSCHEMBL9180266AKOS000217689NS00030205
Show more names
3-[(1-phenyl-1H-tetrazol-5-yl)thio]propiononitrile
Database identifiers
- CAS
3751-46-0- PubChem CID
- 77355
- DTXSID
DTXSID4063165- EC Number
- 223-153-7
- Nikkaji
- J217.649A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- EPA Substance Registry System
- 3 · Propanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]- (3751-46-0)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-[(1-phenyl-1H-tetrazol-5-yl)thio]-: INACTIVE
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…