2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol

C12H16O2S3 — CID 71410226

IUPAC2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol
SMILESCOc1ccc(C2(SCCO)SCCS2)cc1
InChIInChI=1S/C12H16O2S3/c1-14-11-4-2-10(3-5-11)12(15-7-6-13)16-8-9-17-12/h2-5,13H,6-9H2,1H3
InChIKeyCMIURXFPZUXPPS-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.01
Rot. Bonds5

About 2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol

2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol (PubChem CID 71410226) has the molecular formula C12H16O2S3 and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol
PubChem CID71410226
Molecular FormulaC12H16O2S3
Molecular Weight288.46 g/mol
Exact Mass288.03
IUPAC Name2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol
SMILESCOc1ccc(C2(SCCO)SCCS2)cc1
InChIInChI=1S/C12H16O2S3/c1-14-11-4-2-10(3-5-11)12(15-7-6-13)16-8-9-17-12/h2-5,13H,6-9H2,1H3
InChIKeyCMIURXFPZUXPPS-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 171758966
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CID 90294446
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
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[2-(4-methoxyphenyl)oxetan-2-yl]methanol
CID 117258820
2-ethyl-2-(4-methoxyphenyl)oxirane
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CID 146482116
3-(4-methoxyphenyl)thian-3-ol
CID 83691900
2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol
CID 64612734
2-[1-(4-methoxyphenyl)cyclopropyl]acetonitrile
CID 58155388
2-(2-hydroxyethylsulfanyl)-4-methoxyphenol
CID 86108136
(4-methoxyphenoxy)methanol
CID 20580272
(4-methoxyphenyl)methanol
CID 7738

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol (CID 71410226) is 2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol is COc1ccc(C2(SCCO)SCCS2)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol?
The InChIKey is CMIURXFPZUXPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2S3/c1-14-11-4-2-10(3-5-11)12(15-7-6-13)16-8-9-17-12/h2-5,13H,6-9H2,1H3.
What are the key properties of 2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol?
2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol has a molecular weight of 288.46 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]sulfanyl]ethanol is sourced from PubChem (CID 71410226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).