3-methoxy-2,4,6-trimethylbenzenethiol

C10H14OS — CID 172564996

IUPAC3-methoxy-2,4,6-trimethylbenzenethiol
SMILESCOc1c(C)cc(C)c(S)c1C
InChIInChI=1S/C10H14OS/c1-6-5-7(2)10(12)8(3)9(6)11-4/h5,12H,1-4H3
InChIKeyGEKUJDUIIBIBKK-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.91
Rot. Bonds1

About 3-methoxy-2,4,6-trimethylbenzenethiol

3-methoxy-2,4,6-trimethylbenzenethiol (PubChem CID 172564996) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 3-methoxy-2,4,6-trimethylbenzenethiol.

Molecular Properties

Compound Name3-methoxy-2,4,6-trimethylbenzenethiol
PubChem CID172564996
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name3-methoxy-2,4,6-trimethylbenzenethiol
SMILESCOc1c(C)cc(C)c(S)c1C
InChIInChI=1S/C10H14OS/c1-6-5-7(2)10(12)8(3)9(6)11-4/h5,12H,1-4H3
InChIKeyGEKUJDUIIBIBKK-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.91
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

1-ethyl-4-methoxy-2,3,5-trimethylbenzene
CID 20747709
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
2,4-dimethylnaphthalene-1-thiol
CID 130390720
ethane;3-methoxy-2,4,6-trimethylbenzoyl chloride
CID 142212936
1-[2-chloro-1-(4-methoxy-2,3,5-trimethylphenyl)ethyl]-4-methoxy-2,3,5-trimethylbenzene
CID 88767616
4-methoxy-3,5-dimethylphenol
CID 643378
2,2,2-trifluoro-1-(4-methoxy-2,3,5-trimethylphenyl)ethanone
CID 82295022
5-bromo-2-methoxy-1,3-dimethylbenzene;hydrochloride
CID 175135355
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
O-[(4-methoxy-2,3,5-trimethylphenyl)methyl]hydroxylamine
CID 83698804
2-methoxy-1,3,4-trimethyl-5-nitrobenzene
CID 22408512
bromo-(4-methoxy-2,3,5-trimethylphenyl)methanamine
CID 116947618

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4,6-trimethylbenzenethiol?
The IUPAC name of 3-methoxy-2,4,6-trimethylbenzenethiol (CID 172564996) is 3-methoxy-2,4,6-trimethylbenzenethiol.
What is the SMILES notation for 3-methoxy-2,4,6-trimethylbenzenethiol?
The canonical SMILES for 3-methoxy-2,4,6-trimethylbenzenethiol is COc1c(C)cc(C)c(S)c1C.
What is the InChIKey of 3-methoxy-2,4,6-trimethylbenzenethiol?
The InChIKey is GEKUJDUIIBIBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-6-5-7(2)10(12)8(3)9(6)11-4/h5,12H,1-4H3.
What are the key properties of 3-methoxy-2,4,6-trimethylbenzenethiol?
3-methoxy-2,4,6-trimethylbenzenethiol has a molecular weight of 182.29 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4,6-trimethylbenzenethiol is sourced from PubChem (CID 172564996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).