2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+))

C6H9O4Rb3S — CID 144905302

IUPAC2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+))
SMILESCC1SC(O)C([O-])C([O-])C1[O-].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C6H9O4S.3Rb/c1-2-3(7)4(8)5(9)6(10)11-2;;;/h2-6,10H,1H3;;;/q-3;3*+1
InChIKeyCBMBGUDCRJYVDK-UHFFFAOYSA-N
MW433.61 g/mol
LogP-12.36
Rot. Bonds

About 2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+))

2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+)) (PubChem CID 144905302) has the molecular formula C6H9O4Rb3S and a molecular weight of 433.61 g/mol. Its IUPAC name is 2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+)).

Molecular Properties

Compound Name2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+))
PubChem CID144905302
Molecular FormulaC6H9O4Rb3S
Molecular Weight433.61 g/mol
Exact Mass431.76
IUPAC Name2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+))
SMILESCC1SC(O)C([O-])C([O-])C1[O-].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C6H9O4S.3Rb/c1-2-3(7)4(8)5(9)6(10)11-2;;;/h2-6,10H,1H3;;;/q-3;3*+1
InChIKeyCBMBGUDCRJYVDK-UHFFFAOYSA-N
XLogP-12.36
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.61
LogP ≤ 5-12.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S,3S)-3-methylthiirane-2-carboxylic acid
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(4,5-dimethyl-1,3-dithiolan-2-yl)methanol
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(2R)-2,3-dimethylcyclopropan-1-ol
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(4S,5S)-4,5-dimethyl-1,3-dithiolane-2-carbonyl chloride
CID 45081740
6-ethyl-2,3-dimethylthian-4-ol
CID 3430060
3,4-dimethyl-2,5-dihydrothiophene-2,5-diol
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(4R,5S)-3,3,5-trimethyldithiolan-4-ol
CID 170710497
5-methyl-4,5-dihydro-1,3-thiazol-4-ol
CID 70067896
(2R,3S,4R,5S,6S)-6-ethynylthiane-2,3,4,5-tetrol
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CID 167693374

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+))?
The IUPAC name of 2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+)) (CID 144905302) is 2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+)).
What is the SMILES notation for 2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+))?
The canonical SMILES for 2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+)) is CC1SC(O)C([O-])C([O-])C1[O-].[Rb+].[Rb+].[Rb+].
What is the InChIKey of 2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+))?
The InChIKey is CBMBGUDCRJYVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O4S.3Rb/c1-2-3(7)4(8)5(9)6(10)11-2;;;/h2-6,10H,1H3;;;/q-3;3*+1.
What are the key properties of 2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+))?
2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+)) has a molecular weight of 433.61 g/mol, XLogP of -12.36, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methylthiane-3,4,5-triolate;tris(rubidium(1+)) is sourced from PubChem (CID 144905302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).