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2C-T-7
CAS: 207740-26-9 | C13H21NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
207740-26-9
Molecular Formula:
C13H21NO2S
Molecular Mass:
255.38 g/mol
Names and Synonyms:
2C-T-7
Benzeneethanamine, 2,5-dimethoxy-4-(propylthio)-
2,5-Dimethoxy-4-(propylthio)benzeneethanamine
2,5-Dimethoxy-4-(propylthio)phenethylamine
2C-T7
2,5-Dimethoxy-4-(n)-propylthiophenethylamine
2,5-Dimethoxy-4-propylthio-β-phenethylamine
Identifiers:
SMILES:
CCCSc1cc(OC)c(CCN)cc1OC
InChI:
InChI=1S/C13H21NO2S/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3
Key Properties
Melting Point
135 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 255.38 g/mol | CAS Common Chemistry |
| 255.38299999999992 g/mol | RDKit | |
| 255.129299912 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/2C-T-7 | CAS Common Chemistry |
| Canonical SMILES | O(C1=CC(=C(OC)C=C1SCCC)CCN)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H21NO2S/c1-4-7-17-13-9-11(15-2)10(5-6-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OLEVEPDJOFPJTF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 135 °C | CAS Common Chemistry |
| Name | 2,5-Dimethoxy-4-(n)-propylthiophenethylamine | CAS Common Chemistry |
| 2C-T-7 | CAS Common Chemistry | |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 44.480000000000004 Ų | RDKit |
| LogP | 2.7071000000000005 | RDKit |
| Molar Refractivity | 73.31940000000004 | RDKit |
