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DTD : Summary
Code
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DTD
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One-letter code
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X
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Molecule name
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DITHIANE DIOL
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Systematic names
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Formula
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C4 H8 O2 S2
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Formal charge
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0
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Molecular weight
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152.235 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
OC1CSSCC1O |
SMILES
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CACTVS |
3.341 |
O[CH]1CSSC[CH]1O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1C(C(CSS1)O)O |
Canonical SMILES
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CACTVS |
3.341 |
O[C@H]1CSSC[C@@H]1O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1[C@@H]([C@H](CSS1)O)O |
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IUPAC InChI | InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1 |
IUPAC InChI key | YPGMOWHXEQDBBV-IMJSIDKUSA-N |
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wwPDB Information |
Atom count
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16 (8 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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