(4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione

C14H20O6S4 — CID 139051897

IUPAC(4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione
SMILESCO[C@@H]1C[C@@H]2OC(=S)SC[C@H]2O1.CO[C@H]1C[C@@H]2OC(=S)SC[C@H]2O1
InChIInChI=1S/2C7H10O3S2/c2*1-8-6-2-4-5(9-6)3-12-7(11)10-4/h2*4-6H,2-3H2,1H3/t4-,5+,6+;4-,5+,6-/m00/s1
InChIKeyMPOUVLZPDVTIAQ-DVTCNOIZSA-N
MW412.58 g/mol
LogP2.33
Rot. Bonds2

About (4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione

(4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione (PubChem CID 139051897) has the molecular formula C14H20O6S4 and a molecular weight of 412.58 g/mol. Its IUPAC name is (4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione.

Molecular Properties

Compound Name(4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione
PubChem CID139051897
Molecular FormulaC14H20O6S4
Molecular Weight412.58 g/mol
Exact Mass412.01
IUPAC Name(4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione
SMILESCO[C@@H]1C[C@@H]2OC(=S)SC[C@H]2O1.CO[C@H]1C[C@@H]2OC(=S)SC[C@H]2O1
InChIInChI=1S/2C7H10O3S2/c2*1-8-6-2-4-5(9-6)3-12-7(11)10-4/h2*4-6H,2-3H2,1H3/t4-,5+,6+;4-,5+,6-/m00/s1
InChIKeyMPOUVLZPDVTIAQ-DVTCNOIZSA-N
XLogP2.33
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione with MolForge

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Related Compounds

(1R,2R,6R,8S)-4,4-dimethyl-3,5,7,12-tetraoxa-10-thiatricyclo[6.4.0.02,6]dodecane-11-thione
CID 139051896
(1S,3R,4S,7R)-3-methoxy-7-(2-methoxyethoxy)-2-oxa-5-thiabicyclo[2.2.1]heptane
CID 21589191
(4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione
CID 139051898
(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione
CID 139051899

Frequently Asked Questions

What is the IUPAC name of (4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione?
The IUPAC name of (4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione (CID 139051897) is (4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione.
What is the SMILES notation for (4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione?
The canonical SMILES for (4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione is CO[C@@H]1C[C@@H]2OC(=S)SC[C@H]2O1.CO[C@H]1C[C@@H]2OC(=S)SC[C@H]2O1.
What is the InChIKey of (4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione?
The InChIKey is MPOUVLZPDVTIAQ-DVTCNOIZSA-N. The full InChI is InChI=1S/2C7H10O3S2/c2*1-8-6-2-4-5(9-6)3-12-7(11)10-4/h2*4-6H,2-3H2,1H3/t4-,5+,6+;4-,5+,6-/m00/s1.
What are the key properties of (4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione?
(4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione has a molecular weight of 412.58 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,6S,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione;(4aS,6R,7aS)-6-methoxy-4a,6,7,7a-tetrahydro-4H-furo[2,3-e][1,3]oxathiine-2-thione is sourced from PubChem (CID 139051897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).