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Molecule
2C-T-2
CAS: 207740-24-7 · C12H19NO2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 207740-24-7
- Molecular Formula
- C12H19NO2S
- Molecular Mass
- 241.36 g/mol
Identifiers
CAS Registry Number
207740-24-7
SMILES
CCSc1cc(OC)c(CCN)cc1OC
InChI Key
HCWQGDLBIKOJPM-UHFFFAOYSA-N
InChI
InChI=1S/C12H19NO2S/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3/h7-8H,4-6,13H2,1-3H3
Names and Synonyms
- 2C-T-2 Synonym
- Benzeneethanamine, 4-(ethylthio)-2,5-dimethoxy- Synonym
- 4-(Ethylthio)-2,5-dimethoxybenzeneethanamine Synonym
- 2,5-Dimethoxy-4-(ethylthio)phenethylamine Synonym
- 4-Ethylthio-2,5-dimethoxyphenethylamine Synonym
- 2C-T2 Synonym
- 4-Ethylthio-2,5-dimethoxy-β-phenethylamine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 241.36 g/mol | CAS Common Chemistry |
| 241.35599999999994 g/mol | RDKit | |
| 241.356 g/mol | RDKit | |
| 243.242 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2C-T-2 | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC(=C(OC)C=C1SCC)CCN)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H19NO2S/c1-4-16-12-8-10(14-2)9(5-6-13)7-11(12)15-3/h7-8H,4-6,13H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HCWQGDLBIKOJPM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 130 °C | CAS Common Chemistry |
| Name | 4-Ethylthio-2,5-dimethoxyphenethylamine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| 44.48 Ų | RDKit | |
| LogP | 2.317 | RDKit |
| Molar Refractivity | 68.70240000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 241.113649848 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 241.36 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H19NO2S.
