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T8O : Summary
Code ![](/pdbe/static/images/help.png)
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T8O
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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4-[(difluoromethyl)sulfanyl]aniline
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C7 H7 F2 N S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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175.199 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
FC(F)Sc1ccc(N)cc1 |
SMILES
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CACTVS |
3.385 |
Nc1ccc(SC(F)F)cc1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1N)SC(F)F |
Canonical SMILES
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CACTVS |
3.385 |
Nc1ccc(SC(F)F)cc1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1N)SC(F)F |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H7F2NS/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ODJCIHKBMUREOC-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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18 (11 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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non-polymer
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2023-08-28
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Last modified at ![](/pdbe/static/images/help.png)
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2023-11-24
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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