Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate
Basic information
- CAS
5490-56-2- Standard SMILES
C[NH2+]C(C)C(C)c1c[nH]c2ccc(SC)cc12.O=C([O-])O- InChIKey
OBNSUVORZAKKER-UHFFFAOYSA-N- Molecular formula
- C15H22N2O3S
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.13511374
Names & identifiers
- Preferred name
- Indole, 3-(3-methylamino-2-butyl)-5-methylthio-, bicarbonate
- IUPAC
- hydrogen carbonate;methyl-[3-(5-methylsulfanyl-1H-indol-3-yl)butan-2-yl]azanium
Names & synonyms
3-(2'-Methylaminobutyl-3')-5-methylthioindole bicarbonate5490-56-2INDOLE, 3-(3-METHYLAMINO-2-BUTYL)-5-METHYLTHIO-, BICARBONATERefChem:349245
Database identifiers
- CAS
5490-56-2- PubChem CID
- 21657
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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