[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride

C7H11ClO3S — CID 165459173

IUPAC[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride
SMILESO=S(Cl)CC1C[C@@H]2COC[C@@H]2O1
InChIInChI=1S/C7H11ClO3S/c8-12(9)4-6-1-5-2-10-3-7(5)11-6/h5-7H,1-4H2/t5-,6?,7+,12?/m1/s1
InChIKeyKZVHYUQMOWIRMW-JUYFMSGGSA-N
MW210.68 g/mol
LogP0.69
Rot. Bonds2

About [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride

[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride (PubChem CID 165459173) has the molecular formula C7H11ClO3S and a molecular weight of 210.68 g/mol. Its IUPAC name is [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride.

Molecular Properties

Compound Name[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride
PubChem CID165459173
Molecular FormulaC7H11ClO3S
Molecular Weight210.68 g/mol
Exact Mass210.01
IUPAC Name[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride
SMILESO=S(Cl)CC1C[C@@H]2COC[C@@H]2O1
InChIInChI=1S/C7H11ClO3S/c8-12(9)4-6-1-5-2-10-3-7(5)11-6/h5-7H,1-4H2/t5-,6?,7+,12?/m1/s1
InChIKeyKZVHYUQMOWIRMW-JUYFMSGGSA-N
XLogP0.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.68
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride?
The IUPAC name of [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride (CID 165459173) is [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride.
What is the SMILES notation for [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride?
The canonical SMILES for [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride is O=S(Cl)CC1C[C@@H]2COC[C@@H]2O1.
What is the InChIKey of [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride?
The InChIKey is KZVHYUQMOWIRMW-JUYFMSGGSA-N. The full InChI is InChI=1S/C7H11ClO3S/c8-12(9)4-6-1-5-2-10-3-7(5)11-6/h5-7H,1-4H2/t5-,6?,7+,12?/m1/s1.
What are the key properties of [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride?
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride has a molecular weight of 210.68 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]furan-2-yl]methanesulfinyl chloride is sourced from PubChem (CID 165459173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).