(2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol

C7H12O2S — CID 11744929

IUPAC(2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol
SMILESCS[C@H]1[C@@H](O)C=CO[C@@H]1C
InChIInChI=1S/C7H12O2S/c1-5-7(10-2)6(8)3-4-9-5/h3-8H,1-2H3/t5-,6+,7-/m1/s1
InChIKeyMSGNMDXAIIXQRI-DSYKOEDSSA-N
MW160.24 g/mol
LogP1.01
Rot. Bonds1

About (2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol

(2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol (PubChem CID 11744929) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is (2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol
PubChem CID11744929
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name(2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol
SMILESCS[C@H]1[C@@H](O)C=CO[C@@H]1C
InChIInChI=1S/C7H12O2S/c1-5-7(10-2)6(8)3-4-9-5/h3-8H,1-2H3/t5-,6+,7-/m1/s1
InChIKeyMSGNMDXAIIXQRI-DSYKOEDSSA-N
XLogP1.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
CID 12816776
(3S)-3-ethoxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
CID 143821584
4-(diethylamino)-2-methyl-3,4-dihydro-2H-pyran-3-ol
CID 130145181
(1S,4aR,7aS)-7-(hydroxymethyl)-1-methyl-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-5-ol
CID 59755170
2-methyl-2,3-dihydrofuran-3-thiol
CID 524174
(2R,3S,4R)-2-ethyl-3,4-dihydro-2H-pyran-3,4-diol
CID 118517723
(2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol
CID 131241498
(2R)-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 163959935
(1R,3S,4S,5R)-4-amino-5-methylsulfanylcyclopentane-1,3-diol
CID 10654575
(2S,3S)-2-pentyl-2,3-dihydrofuran-3-ol
CID 101076795
(2R,3R)-2-pentyl-2,3-dihydrofuran-3-ol
CID 10702068
(3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol;methane
CID 159753385

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol (CID 11744929) is (2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol is CS[C@H]1[C@@H](O)C=CO[C@@H]1C.
What is the InChIKey of (2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is MSGNMDXAIIXQRI-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H12O2S/c1-5-7(10-2)6(8)3-4-9-5/h3-8H,1-2H3/t5-,6+,7-/m1/s1.
What are the key properties of (2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol?
(2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 160.24 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-methyl-3-methylsulfanyl-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 11744929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).