[(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium

C11H14O4S — CID 170849636

IUPAC[(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium
SMILESC[C@@H]1C=C[CH-][C@@H](/[O+]=C2/C=C[C@@H](COS)O2)O1
InChIInChI=1S/C11H14O4S/c1-8-3-2-4-10(13-8)15-11-6-5-9(14-11)7-12-16/h2-6,8-10,16H,7H2,1H3/t8-,9+,10-/m1/s1
InChIKeyHHLOVQGWOYMQEC-KXUCPTDWSA-N
MW242.30 g/mol
LogP1.37
Rot. Bonds3

About [(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium

[(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium (PubChem CID 170849636) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is [(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium.

Molecular Properties

Compound Name[(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium
PubChem CID170849636
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name[(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium
SMILESC[C@@H]1C=C[CH-][C@@H](/[O+]=C2/C=C[C@@H](COS)O2)O1
InChIInChI=1S/C11H14O4S/c1-8-3-2-4-10(13-8)15-11-6-5-9(14-11)7-12-16/h2-6,8-10,16H,7H2,1H3/t8-,9+,10-/m1/s1
InChIKeyHHLOVQGWOYMQEC-KXUCPTDWSA-N
XLogP1.37
TPSA38.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium?
The IUPAC name of [(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium (CID 170849636) is [(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium.
What is the SMILES notation for [(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium?
The canonical SMILES for [(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium is C[C@@H]1C=C[CH-][C@@H](/[O+]=C2/C=C[C@@H](COS)O2)O1.
What is the InChIKey of [(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium?
The InChIKey is HHLOVQGWOYMQEC-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H14O4S/c1-8-3-2-4-10(13-8)15-11-6-5-9(14-11)7-12-16/h2-6,8-10,16H,7H2,1H3/t8-,9+,10-/m1/s1.
What are the key properties of [(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium?
[(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium has a molecular weight of 242.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6R)-6-methyl-3,6-dihydro-2H-pyran-3-id-2-yl]-[(2S)-2-(sulfanyloxymethyl)-2H-furan-5-ylidene]oxidanium is sourced from PubChem (CID 170849636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).