methylamino-(2,4,6-trimethoxyphenyl)methanethiol

C11H17NO3S — CID 116954536

IUPACmethylamino-(2,4,6-trimethoxyphenyl)methanethiol
SMILESCNC(S)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C11H17NO3S/c1-12-11(16)10-8(14-3)5-7(13-2)6-9(10)15-4/h5-6,11-12,16H,1-4H3
InChIKeyYVAZBWCMSUSEJE-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.86
Rot. Bonds5

About methylamino-(2,4,6-trimethoxyphenyl)methanethiol

methylamino-(2,4,6-trimethoxyphenyl)methanethiol (PubChem CID 116954536) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is methylamino-(2,4,6-trimethoxyphenyl)methanethiol.

Molecular Properties

Compound Namemethylamino-(2,4,6-trimethoxyphenyl)methanethiol
PubChem CID116954536
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Namemethylamino-(2,4,6-trimethoxyphenyl)methanethiol
SMILESCNC(S)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C11H17NO3S/c1-12-11(16)10-8(14-3)5-7(13-2)6-9(10)15-4/h5-6,11-12,16H,1-4H3
InChIKeyYVAZBWCMSUSEJE-UHFFFAOYSA-N
XLogP1.86
TPSA39.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
1-bromo-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116961980
1-cyclopropyl-N-methyl-1-(2,4,6-trimethoxyphenyl)methanamine
CID 43483009
1-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylmethanamine
CID 116962144
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116948588
N,2,2-trimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 62679934
hydrazinyl-(2,4,6-trimethoxyphenyl)methanamine
CID 116947477
N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine
CID 114874234
1-(2,4-dimethoxy-6-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859497
1-(2,4-dimethoxy-6-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 116948303
ethyl 2-(methylamino)-2-(2,4,6-trimethoxyphenyl)acetate
CID 60787918

Frequently Asked Questions

What is the IUPAC name of methylamino-(2,4,6-trimethoxyphenyl)methanethiol?
The IUPAC name of methylamino-(2,4,6-trimethoxyphenyl)methanethiol (CID 116954536) is methylamino-(2,4,6-trimethoxyphenyl)methanethiol.
What is the SMILES notation for methylamino-(2,4,6-trimethoxyphenyl)methanethiol?
The canonical SMILES for methylamino-(2,4,6-trimethoxyphenyl)methanethiol is CNC(S)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of methylamino-(2,4,6-trimethoxyphenyl)methanethiol?
The InChIKey is YVAZBWCMSUSEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-12-11(16)10-8(14-3)5-7(13-2)6-9(10)15-4/h5-6,11-12,16H,1-4H3.
What are the key properties of methylamino-(2,4,6-trimethoxyphenyl)methanethiol?
methylamino-(2,4,6-trimethoxyphenyl)methanethiol has a molecular weight of 243.33 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino-(2,4,6-trimethoxyphenyl)methanethiol is sourced from PubChem (CID 116954536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).