M58
(~{R})-azanyl(pyridin-3-yl)methanethiol
Created: | 2019-10-03 |
Last modified: | 2020-03-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 17 |
Chiral Atom Count | 1 |
Bond Count | 17 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (~{R})-azanyl(pyridin-3-yl)methanethiol |
Systematic Name (OpenEye OEToolkits) | (~{R})-azanyl(pyridin-3-yl)methanethiol |
Formula | C6 H8 N2 S |
Molecular Weight | 140.206 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | N[CH](S)c1cccnc1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)C(N)S |
Canonical SMILES | CACTVS | 3.385 | N[C@H](S)c1cccnc1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)[C@H](N)S |
InChI | InChI | 1.03 | InChI=1S/C6H8N2S/c7-6(9)5-2-1-3-8-4-5/h1-4,6,9H,7H2/t6-/m1/s1 |
InChIKey | InChI | 1.03 | FNWRZJSHJIXOOI-ZCFIWIBFSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 146018697 |