1H-Indole, 2-phenyl-3-((1H-tetrazol-5-ylmethyl)thio)-
Basic information
- CAS
66354-90-3- Standard SMILES
c1ccc(-c2[nH]c3ccccc3c2SCc2nn[nH]n2)cc1- InChIKey
FKWWOWZDEPIERM-UHFFFAOYSA-N- Molecular formula
- C16H13N5S
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.08916661
Names & identifiers
- Preferred name
- 1H-Indole, 2-phenyl-3-((1H-tetrazol-5-ylmethyl)thio)-
- IUPAC
- 2-phenyl-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
Names & synonyms
66354-90-3LCS 22688BRN 11512101H-INDOLE, 2-PHENYL-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-2-Phenyl-3-((1H-tetrazol-5-ylmethyl)thio)-1H-indolePhenyl-2 (tetrazolyl-5'-methylthio)-3 indole [French]Phenyl-2 (tetrazolyl-5'-methylthio)-3 indoleDTXSID80216566RefChem:238754DTXCID101390572-Phenyl-3-{[(2H-tetrazol-5-yl)methyl]sulfanyl}-1H-indole
Database identifiers
- CAS
66354-90-3- PubChem CID
- 47900
- DTXSID
DTXSID80216566- Nikkaji
- J64.795K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
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Compound notes
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