(4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane

C12H16O2S — CID 166448507

IUPAC(4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane
SMILESCc1ccc(S[C@@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C12H16O2S/c1-9-4-6-10(7-5-9)15-11-8-13-12(2,3)14-11/h4-7,11H,8H2,1-3H3/t11-/m1/s1
InChIKeyVXJROANGWAVASB-LLVKDONJSA-N
MW224.32 g/mol
LogP3.20
Rot. Bonds2

About (4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane

(4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane (PubChem CID 166448507) has the molecular formula C12H16O2S and a molecular weight of 224.32 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane
PubChem CID166448507
Molecular FormulaC12H16O2S
Molecular Weight224.32 g/mol
Exact Mass224.09
IUPAC Name(4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane
SMILESCc1ccc(S[C@@H]2COC(C)(C)O2)cc1
InChIInChI=1S/C12H16O2S/c1-9-4-6-10(7-5-9)15-11-8-13-12(2,3)14-11/h4-7,11H,8H2,1-3H3/t11-/m1/s1
InChIKeyVXJROANGWAVASB-LLVKDONJSA-N
XLogP3.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
(2,2-Diethoxyethyl)(p-tolyl)sulfane
CID 7015317
14738-27-3
CID 271492
Ethyl 3-((4-methylphenyl)thio)propionate
CID 3020476
[[(4S,5R)-5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl]-(4-methylphenyl)sulfanylmethyl] 2,2,2-trifluoroacetate
CID 134916301
3,3-Diethoxypropylsulfanylmethylbenzene
CID 10610987
1-[(R)-2-ethoxyethylsulfinyl]-4-methylbenzene
CID 15004745
2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolan-2-ol
CID 15473194
2-[2-(4-Methylbenzene-1-sulfonyl)ethyl]-1,3-dioxolane
CID 12538998
2-(4-Methylphenyl)sulfanyl-1,4-dioxane
CID 102103303
1,1-Diethoxy-2-(3-fluoro-4-methylphenylthio)ethane
CID 18691585
1,1-Diethoxy-2-(3,5-difluoro-4-methylphenylthio)ethane
CID 18691589

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane?
The IUPAC name of (4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane (CID 166448507) is (4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane.
What is the SMILES notation for (4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane?
The canonical SMILES for (4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane is Cc1ccc(S[C@@H]2COC(C)(C)O2)cc1.
What is the InChIKey of (4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane?
The InChIKey is VXJROANGWAVASB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O2S/c1-9-4-6-10(7-5-9)15-11-8-13-12(2,3)14-11/h4-7,11H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane?
(4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane has a molecular weight of 224.32 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane is sourced from PubChem (CID 166448507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).