2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol

C11H17NO2S — CID 116868681

IUPAC2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol
SMILESCOc1cc(C)c(C(S)CN)c(OC)c1
InChIInChI=1S/C11H17NO2S/c1-7-4-8(13-2)5-9(14-3)11(7)10(15)6-12/h4-5,10,15H,6,12H2,1-3H3
InChIKeyRWRULYGENGMBEL-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.94
Rot. Bonds4

About 2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol

2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol (PubChem CID 116868681) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol.

Molecular Properties

Compound Name2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol
PubChem CID116868681
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol
SMILESCOc1cc(C)c(C(S)CN)c(OC)c1
InChIInChI=1S/C11H17NO2S/c1-7-4-8(13-2)5-9(14-3)11(7)10(15)6-12/h4-5,10,15H,6,12H2,1-3H3
InChIKeyRWRULYGENGMBEL-UHFFFAOYSA-N
XLogP1.94
TPSA44.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(2,4-dimethoxy-6-methylphenyl)methyl]-1,3,5-trimethoxybenzene
CID 91355849
(1S)-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201024
2-amino-1-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868705
3-chloro-1-(2,4-dimethoxy-6-methylphenyl)propan-1-amine
CID 116937769
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
2-bromo-1-(2,4-dimethoxy-6-methylphenyl)ethanol
CID 116863258
2-(2,4-dimethoxy-6-methylphenyl)-2-(1H-imidazol-2-yl)ethanamine
CID 116834895
2-methyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116933123
1-(2,4-dimethoxy-6-methylphenyl)-N'-ethylethane-1,2-diamine
CID 116934957
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116962144

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol?
The IUPAC name of 2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol (CID 116868681) is 2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol.
What is the SMILES notation for 2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol?
The canonical SMILES for 2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol is COc1cc(C)c(C(S)CN)c(OC)c1.
What is the InChIKey of 2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol?
The InChIKey is RWRULYGENGMBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-7-4-8(13-2)5-9(14-3)11(7)10(15)6-12/h4-5,10,15H,6,12H2,1-3H3.
What are the key properties of 2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol?
2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol has a molecular weight of 227.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,4-dimethoxy-6-methylphenyl)ethanethiol is sourced from PubChem (CID 116868681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).