1H-Indole, 2-(2,4-dimethylphenyl)-3-((1H-tetrazol-5-ylmethyl)thio)-
Basic information
- CAS
66355-03-1- Standard SMILES
Cc1ccc(-c2[nH]c3ccccc3c2SCc2nn[nH]n2)c(C)c1- InChIKey
QYTWSUBGAJZYQS-UHFFFAOYSA-N- Molecular formula
- C18H17N5S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.12046674
Names & identifiers
- Preferred name
- 1H-Indole, 2-(2,4-dimethylphenyl)-3-((1H-tetrazol-5-ylmethyl)thio)-
- IUPAC
- 2-(2,4-dimethylphenyl)-3-(2H-tetrazol-5-ylmethylsulfanyl)-1H-indole
- English name
- 2-(2,4-Dimethylphenyl)-3-[(1H-tetrazol-5-yl)methylthio]-1H-indole
- Molecular formula
- C18H17N5S
- Molecular weight
- 335.43
Names & synonyms
66355-03-1LCS 26199BRN 11662352-(2,4-Dimethylphenyl)-3-((1H-tetrazol-5-ylmethyl)thio)-1H-indole1H-INDOLE, 2-(2,4-DIMETHYLPHENYL)-3-((1H-TETRAZOL-5-YLMETHYL)THIO)-DTXSID70216575RefChem:238722DTXCID001390662-(2,4-Dimethylphenyl)-3-{[(2H-tetrazol-5-yl)methyl]sulfanyl}-1H-indoleLCS-261992-(2,4-Dimethylphenyl)-3-[(1H-tetrazol-5-yl)methylthio]-1H-indole1H-Indole, 2-(2,4-dimethylphenyl)-3-[(2H-tetrazol-5-ylmethyl)thio]-
Database identifiers
- CAS
66355-03-1- PubChem CID
- 47906
- DTXSID
DTXSID70216575- Nikkaji
- J64.782I
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 422
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Compound notes
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