2-(4-methylphenyl)sulfanyl-1,4-dioxane

C11H14O2S — CID 102103303

IUPAC2-(4-methylphenyl)sulfanyl-1,4-dioxane
SMILESCc1ccc(SC2COCCO2)cc1
InChIInChI=1S/C11H14O2S/c1-9-2-4-10(5-3-9)14-11-8-12-6-7-13-11/h2-5,11H,6-8H2,1H3
InChIKeyBWDONGFVLVFDMA-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.46
Rot. Bonds2

About 2-(4-methylphenyl)sulfanyl-1,4-dioxane

2-(4-methylphenyl)sulfanyl-1,4-dioxane (PubChem CID 102103303) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1,4-dioxane.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1,4-dioxane
PubChem CID102103303
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-(4-methylphenyl)sulfanyl-1,4-dioxane
SMILESCc1ccc(SC2COCCO2)cc1
InChIInChI=1S/C11H14O2S/c1-9-2-4-10(5-3-9)14-11-8-12-6-7-13-11/h2-5,11H,6-8H2,1H3
InChIKeyBWDONGFVLVFDMA-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Ethylthio)toluene
CID 136431
Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
Propyl P-tolyl sulfide
CID 597180
Benzene, 1-methyl-4-((1-methylethyl)thio)-
CID 139846
Allyl(4-methylphenyl) sulfide
CID 232029
1,2-Propanediol, 3-(p-tolylthio)-
CID 115625
(2,2-Diethoxyethyl)(p-tolyl)sulfane
CID 7015317
Propanoic acid, 3-[(4-methylphenyl)thio]-, methyl ester
CID 10798513
Ethyl (4-methylphenyl)sulfanylformate
CID 15488638
14738-27-3
CID 271492
Ethyl 3-((4-methylphenyl)thio)propionate
CID 3020476
(4-Trifluoromethyl-phenylsulfanyl)-acetic acid ethyl ester
CID 58198439

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-1,4-dioxane?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1,4-dioxane (CID 102103303) is 2-(4-methylphenyl)sulfanyl-1,4-dioxane.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1,4-dioxane?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1,4-dioxane is Cc1ccc(SC2COCCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1,4-dioxane?
The InChIKey is BWDONGFVLVFDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-9-2-4-10(5-3-9)14-11-8-12-6-7-13-11/h2-5,11H,6-8H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1,4-dioxane?
2-(4-methylphenyl)sulfanyl-1,4-dioxane has a molecular weight of 210.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1,4-dioxane is sourced from PubChem (CID 102103303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).