5VM
5-chloranyl-3~{H}-1,3-benzoxazole-2-thione
| Created: | 2015-12-09 |
| Last modified: | 2016-04-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 15 |
| Chiral Atom Count | 0 |
| Bond Count | 16 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione |
| Systematic Name (OpenEye OEToolkits) | 5-chloranyl-3~{H}-1,3-benzoxazole-2-thione |
| Formula | C7 H4 Cl N O S |
| Molecular Weight | 185.631 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | Clc1ccc2OC(=S)Nc2c1 |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1Cl)NC(=S)O2 |
| Canonical SMILES | CACTVS | 3.385 | Clc1ccc2OC(=S)Nc2c1 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.4 | c1cc2c(cc1Cl)NC(=S)O2 |
| InChI | InChI | 1.03 | InChI=1S/C7H4ClNOS/c8-4-1-2-6-5(3-4)9-7(11)10-6/h1-3H,(H,9,11) |
| InChIKey | InChI | 1.03 | BOBIZYYFYLLRAH-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 708870, 31551 |
| ChEMBL | CHEMBL99703 |
