A1CFC
1-{4-[(R)-methanesulfinyl]phenyl}methanamine
| Created: | 2025-06-09 |
| Last modified: | 2025-11-05 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 22 |
| Chiral Atom Count | 1 |
| Bond Count | 22 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 1-{4-[(R)-methanesulfinyl]phenyl}methanamine |
| Systematic Name (OpenEye OEToolkits) | (4-methylsulfinylphenyl)methanamine |
| Formula | C8 H11 N O S |
| Molecular Weight | 169.244 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(C)c1ccc(CN)cc1 |
| SMILES | CACTVS | 3.385 | C[S](=O)c1ccc(CN)cc1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CS(=O)c1ccc(cc1)CN |
| Canonical SMILES | CACTVS | 3.385 | C[S@@](=O)c1ccc(CN)cc1 |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | CS(=O)c1ccc(cc1)CN |
| InChI | InChI | 1.06 | InChI=1S/C8H11NOS/c1-11(10)8-4-2-7(6-9)3-5-8/h2-5H,6,9H2,1H3 |
| InChIKey | InChI | 1.06 | OVDPJXUHQXPHIX-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 21620422 |
