2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol

C12H18OS — CID 116927327

IUPAC2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
SMILESCOc1c(C)c(C)cc(C)c1CCS
InChIInChI=1S/C12H18OS/c1-8-7-9(2)11(5-6-14)12(13-4)10(8)3/h7,14H,5-6H2,1-4H3
InChIKeyJGRSYTVZJROZMG-UHFFFAOYSA-N
MW210.34 g/mol
LogP3.09
Rot. Bonds3

About 2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol

2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol (PubChem CID 116927327) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol.

Molecular Properties

Compound Name2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
PubChem CID116927327
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
SMILESCOc1c(C)c(C)cc(C)c1CCS
InChIInChI=1S/C12H18OS/c1-8-7-9(2)11(5-6-14)12(13-4)10(8)3/h7,14H,5-6H2,1-4H3
InChIKeyJGRSYTVZJROZMG-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamothioic S-acid
CID 115170353
2-(2-methoxy-3,4,6-trimethylphenyl)ethylcarbamic acid
CID 115171197
methyl 2-[2-(2-methoxy-3,4,6-trimethylphenyl)ethylamino]acetate
CID 115233101
3-(2-methoxy-3,4,6-trimethylphenyl)-N',N'-dimethylpropanehydrazide
CID 116847658
N-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylpropan-2-amine
CID 117044095
[(2-methoxy-3,4,6-trimethylphenyl)methyl-methylamino]methanol
CID 115229239
N'-[2-(2-methoxy-3,4,6-trimethylphenyl)ethyl]-2-methylpropane-1,3-diamine
CID 115198816
[1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropyl]methanol
CID 116928935
4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline
CID 116926171
3-(2,4-dimethoxy-3,6-dimethylphenyl)propan-1-ol
CID 117322234
1-[(2-methoxy-3,4,6-trimethylphenyl)methyl]cyclopropane-1-carbonitrile
CID 116837181
3-(5-chloro-2-methoxy-3,6-dimethylphenyl)propane-1-thiol
CID 83940433

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol?
The IUPAC name of 2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol (CID 116927327) is 2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol.
What is the SMILES notation for 2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol?
The canonical SMILES for 2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol is COc1c(C)c(C)cc(C)c1CCS.
What is the InChIKey of 2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol?
The InChIKey is JGRSYTVZJROZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-8-7-9(2)11(5-6-14)12(13-4)10(8)3/h7,14H,5-6H2,1-4H3.
What are the key properties of 2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol?
2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol has a molecular weight of 210.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol is sourced from PubChem (CID 116927327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).