Basic information
- CAS
5102-11-4- Standard SMILES
CSc1ccc2[nH]cc(CCN(C)C)c2c1- InChIKey
YOGJZQGRTVMCPY-UHFFFAOYSA-N- Molecular formula
- C13H18N2S
- Average molar mass
- 234.36 g/mol
- Monoisotopic mass
- 234.11906976
Overview
structure given in first source
Names & identifiers
- Preferred name
- N,N-Dimethyl-5-(methylthio)-1H-indole-3-ethanamine
- IUPAC
- N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine
- English name
- 5-methylthiodimethyltryptamine
- Molecular formula
- C13H18N2S
- Molecular weight
- 234.36
Names & synonyms
5-Methylthiodimethyltryptamine5102-11-45-METHYLTHIO DMT5-methylthio-dimethyltryptamine8E8PJ79K571H-Indole-3-ethanamine, N,N-dimethyl-5-(methylthio)-DTXSID50199019N,N-Dimethyl-5-(methylthio)-1H-indole-3-ethanamineRefChem:926487DTXCID301215105-MeS-DMTCHEMBL31783
Show more names
N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamineN,N-Dimethyl-5-methylthiotryptamineBRN 0395065UNII-8E8PJ79K57SCHEMBL20970975SCHEMBL29633037INDOLE, 3-(2-(DIMETHYLAMINO)ETHYL)-5-METHYLTHIO-FAA10211
Database identifiers
- CAS
5102-11-4- PubChem CID
- 21180
- DTXSID
DTXSID50199019- ChEMBL
CHEMBL31783- UNII
- 8E8PJ79K57
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS (pH 7.2) (1:1): 0.5 mg/ml
- form
- A crystalline solid
- FDA UNII
- 8 E8PJ79K57 · 8E8PJ79K57
Chemistry & industry
Applications
Uses5-Methylthio DMT (5-OMe DMT) is a tryptamine with psychoactivity[1][2].
Suppliers2 total
CAYMAN[email protected]
Cayman Chemical Company[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…