Basic information
- CAS
66354-89-0- Standard SMILES
c1ccc(-c2[nH]c3ccccc3c2Sc2nn[nH]n2)cc1- InChIKey
ZSUFRGLXJNHSGH-UHFFFAOYSA-N- Molecular formula
- C15H11N5S
- Average molar mass
- 293.3 g/mol
- Monoisotopic mass
- 293.07351655
Names & identifiers
- Preferred name
- 1H-Indole, 2-phenyl-3-(1H-tetrazol-5-ylthio)-
- IUPAC
- 2-phenyl-3-(2H-tetrazol-5-ylsulfanyl)-1H-indole
- English name
- 2-Phenyl-3-(1H-tetrazol-5-ylthio)-1H-indole
- Molecular formula
- C15H11N5S
- Molecular weight
- 293.35
Names & synonyms
LCS 2269066354-89-02-Phenyl-3-(1H-tetrazol-5-ylthio)-1H-indole1H-INDOLE, 2-PHENYL-3-(1H-TETRAZOL-5-YLTHIO)-BRN 1148142Phenyl-2(tetrazolyl-5'thio)-3 indole [French]Phenyl-2(tetrazolyl-5'thio)-3 indoleDTXSID20216565RefChem:238755DTXCID501390562-Phenyl-3-[(2H-tetrazol-5-yl)sulfanyl]-1H-indoleLCS-22690
Show more names
1H-Indole, 2-phenyl-3-(2H-tetrazol-5-ylthio)-
Database identifiers
- CAS
66354-89-0- PubChem CID
- 47899
- DTXSID
DTXSID20216565- Nikkaji
- J64.796I
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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