2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan

C11H15OPS — CID 102267837

IUPAC2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan
SMILESCC1=C(C)[C@@H](c2ccco2)[P+](C)([S-])C1
InChIInChI=1S/C11H15OPS/c1-8-7-13(3,14)11(9(8)2)10-5-4-6-12-10/h4-6,11H,7H2,1-3H3/t11-,13?/m0/s1
InChIKeyYPGSBWJLAAVJIG-AMGKYWFPSA-N
MW226.28 g/mol
LogP3.78
Rot. Bonds1

About 2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan

2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan (PubChem CID 102267837) has the molecular formula C11H15OPS and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan.

Molecular Properties

Compound Name2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan
PubChem CID102267837
Molecular FormulaC11H15OPS
Molecular Weight226.28 g/mol
Exact Mass226.06
IUPAC Name2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan
SMILESCC1=C(C)[C@@H](c2ccco2)[P+](C)([S-])C1
InChIInChI=1S/C11H15OPS/c1-8-7-13(3,14)11(9(8)2)10-5-4-6-12-10/h4-6,11H,7H2,1-3H3/t11-,13?/m0/s1
InChIKeyYPGSBWJLAAVJIG-AMGKYWFPSA-N
XLogP3.78
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

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CID 10036025
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(2S,6S)-2-(furan-2-yl)-6-methyloxane
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2-(4-propylcyclohexyl)furan
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(2S,3R,4R,6S)-2-(furan-2-yl)-3,6-dimethyloxan-4-ol
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3-(furan-2-yl)-4-methylpiperidine
CID 66271678
4-(furan-2-yl)-5-methylpyrrolidin-2-one
CID 66108911
3-ethyl-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 3800198
(1R,4R,5R,8S,9S)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene
CID 929061
(1S,4R,5S,8R,9S)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene
CID 6546148
(1S,4R,5S,8R,9R)-4-(furan-2-yl)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-6-ene
CID 2311881

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan?
The IUPAC name of 2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan (CID 102267837) is 2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan.
What is the SMILES notation for 2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan?
The canonical SMILES for 2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan is CC1=C(C)[C@@H](c2ccco2)[P+](C)([S-])C1.
What is the InChIKey of 2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan?
The InChIKey is YPGSBWJLAAVJIG-AMGKYWFPSA-N. The full InChI is InChI=1S/C11H15OPS/c1-8-7-13(3,14)11(9(8)2)10-5-4-6-12-10/h4-6,11H,7H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of 2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan?
2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan has a molecular weight of 226.28 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1,3,4-trimethyl-1-sulfido-2,5-dihydrophosphol-1-ium-2-yl]furan is sourced from PubChem (CID 102267837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).