2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-methylpiperazine-1-carbodithioate
Basic information
- CAS
667431-21-2- Standard SMILES
Cc1[nH]c2ccccc2c1C(=O)CSC(=S)N1CCN(C)CC1- InChIKey
KSFMYUGUDNJPKX-UHFFFAOYSA-N- Molecular formula
- C17H21N3OS2
- Average molar mass
- 347.5 g/mol
- Monoisotopic mass
- 347.11260465
Names & identifiers
- Preferred name
- 2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-methylpiperazine-1-carbodithioate
- IUPAC
- [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
Names & synonyms
2-(2-methyl-1H-indol-3-yl)-2-oxoethyl 4-methylpiperazine-1-carbodithioate667431-21-2MLS000332318CHEMBL1466810DTXSID001325120HMS1617B13HMS2782C05STK132602[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioateAKOS001697774SMR000435007ST50106652
Show more names
SR-01000087051SR-01000087051-11-(2-methylindol-3-yl)-2-[(4-methylpiperazinyl)thioxomethylthio]ethan-1-one4-Methyl-piperazine-1-carbodithioic acid 2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl ester
Database identifiers
- CAS
667431-21-2- PubChem CID
- 757696
- DTXSID
DTXSID001325120- ChEMBL
CHEMBL1466810
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 451
Experimental & physicochemical properties
Solubility2.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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