ethyl (R)-2,4,6-trimethylbenzenesulfinate

C11H16O2S — CID 175883354

IUPACethyl (R)-2,4,6-trimethylbenzenesulfinate
SMILESCCO[S@@](=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C11H16O2S/c1-5-13-14(12)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3/t14-/m1/s1
InChIKeyZBVLFECVJCSVOA-CQSZACIVSA-N
MW212.31 g/mol
LogP2.67
Rot. Bonds3

About ethyl (R)-2,4,6-trimethylbenzenesulfinate

ethyl (R)-2,4,6-trimethylbenzenesulfinate (PubChem CID 175883354) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is ethyl (R)-2,4,6-trimethylbenzenesulfinate.

Molecular Properties

Compound Nameethyl (R)-2,4,6-trimethylbenzenesulfinate
PubChem CID175883354
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Nameethyl (R)-2,4,6-trimethylbenzenesulfinate
SMILESCCO[S@@](=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C11H16O2S/c1-5-13-14(12)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3/t14-/m1/s1
InChIKeyZBVLFECVJCSVOA-CQSZACIVSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3,5-trimethyl-2-[(R)-methylsulfinyl]benzene
CID 14433886
ethyl (2E)-2-[(R)-(2,4,6-trimethylphenyl)sulfinyl]iminoacetate
CID 162402165
ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
CID 134847476
ethyl (2,4,6-trimethylphenyl)sulfanylformate
CID 117035888
ethyl 2-[1-(2,4,6-trimethylphenyl)phosphiran-1-ium-1-yl]acetate
CID 154708027
ethyl N-(2,4,6-trimethylphenoxy)carbamate
CID 102307292
CID 53375863
CID 53375863
ethyl 2-hydroxy-4,6-dimethylbenzoate;ethyl 2,4,6-trimethylbenzoate
CID 159167019
ethyl 2-ethyl-3,5-dimethylbenzoate
CID 152572312
ethyl 4-hydroxy-4-(2,4,6-trimethylphenyl)pentanoate
CID 66321481
(NE,S)-N-hexylidene-2,4,6-trimethylbenzenesulfinamide
CID 134998927
ethyl 2-(2-hydroxy-4,6-dimethylphenyl)-2-oxoacetate
CID 117317823

Frequently Asked Questions

What is the IUPAC name of ethyl (R)-2,4,6-trimethylbenzenesulfinate?
The IUPAC name of ethyl (R)-2,4,6-trimethylbenzenesulfinate (CID 175883354) is ethyl (R)-2,4,6-trimethylbenzenesulfinate.
What is the SMILES notation for ethyl (R)-2,4,6-trimethylbenzenesulfinate?
The canonical SMILES for ethyl (R)-2,4,6-trimethylbenzenesulfinate is CCO[S@@](=O)c1c(C)cc(C)cc1C.
What is the InChIKey of ethyl (R)-2,4,6-trimethylbenzenesulfinate?
The InChIKey is ZBVLFECVJCSVOA-CQSZACIVSA-N. The full InChI is InChI=1S/C11H16O2S/c1-5-13-14(12)11-9(3)6-8(2)7-10(11)4/h6-7H,5H2,1-4H3/t14-/m1/s1.
What are the key properties of ethyl (R)-2,4,6-trimethylbenzenesulfinate?
ethyl (R)-2,4,6-trimethylbenzenesulfinate has a molecular weight of 212.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (R)-2,4,6-trimethylbenzenesulfinate is sourced from PubChem (CID 175883354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).