1-(2,4-dimethoxyphenyl)ethanethiol

C10H14O2S — CID 43124104

IUPAC1-(2,4-dimethoxyphenyl)ethanethiol
SMILESCOc1ccc(C(C)S)c(OC)c1
InChIInChI=1S/C10H14O2S/c1-7(13)9-5-4-8(11-2)6-10(9)12-3/h4-7,13H,1-3H3
InChIKeyZNBACIJWYYTMIM-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.69
Rot. Bonds3

About 1-(2,4-dimethoxyphenyl)ethanethiol

1-(2,4-dimethoxyphenyl)ethanethiol (PubChem CID 43124104) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)ethanethiol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)ethanethiol
PubChem CID43124104
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-(2,4-dimethoxyphenyl)ethanethiol
SMILESCOc1ccc(C(C)S)c(OC)c1
InChIInChI=1S/C10H14O2S/c1-7(13)9-5-4-8(11-2)6-10(9)12-3/h4-7,13H,1-3H3
InChIKeyZNBACIJWYYTMIM-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene
CID 132933151
1-(2,4-dimethoxyphenyl)-2-methoxypropan-1-amine
CID 79616909
1-(3-bromo-4-methylpentan-2-yl)-2,4-dimethoxybenzene
CID 79298002
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
2-(2,4-dimethoxyphenyl)propanedial
CID 98587471
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448
1-(2,4-dimethoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859416
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
2,4-dimethoxy-1-[(1S,2R)-2,3,3-trimethyl-1-phenylbutyl]benzene
CID 134977558

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)ethanethiol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)ethanethiol (CID 43124104) is 1-(2,4-dimethoxyphenyl)ethanethiol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)ethanethiol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)ethanethiol is COc1ccc(C(C)S)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)ethanethiol?
The InChIKey is ZNBACIJWYYTMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-7(13)9-5-4-8(11-2)6-10(9)12-3/h4-7,13H,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)ethanethiol?
1-(2,4-dimethoxyphenyl)ethanethiol has a molecular weight of 198.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)ethanethiol is sourced from PubChem (CID 43124104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).