A1CFW
(E)-2-(5-methylthiophen-2-yl)ethen-1-amine
| Created: | 2025-06-09 |
| Last modified: | 2025-11-05 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 18 |
| Chiral Atom Count | 0 |
| Bond Count | 18 |
| Aromatic Bond Count | 5 |
Chemical Component Summary | |
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| Name | (E)-2-(5-methylthiophen-2-yl)ethen-1-amine |
| Systematic Name (OpenEye OEToolkits) | (~{E})-2-(5-methylthiophen-2-yl)ethenamine |
| Formula | C7 H9 N S |
| Molecular Weight | 139.218 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1ccc(\C=C\N)s1 |
| SMILES | CACTVS | 3.385 | Cc1sc(C=CN)cc1 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(s1)C=CN |
| Canonical SMILES | CACTVS | 3.385 | Cc1sc(/C=C/N)cc1 |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(s1)/C=C/N |
| InChI | InChI | 1.06 | InChI=1S/C7H9NS/c1-6-2-3-7(9-6)4-5-8/h2-5H,8H2,1H3/b5-4+ |
| InChIKey | InChI | 1.06 | MXSLNNGXMQLNAY-SNAWJCMRSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 145487686 |
