2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate

C12H18N2O2S — CID 2473500

IUPAC2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\NC)SCCOc1ccc(OC)cc1
InChIInChI=1S/C12H18N2O2S/c1-13-12(14-2)17-9-8-16-11-6-4-10(15-3)5-7-11/h4-7H,8-9H2,1-3H3,(H,13,14)
InChIKeyHBYXLFVZTXCFCB-UHFFFAOYSA-N
MW254.36 g/mol
LogP2.01
Rot. Bonds5

About 2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate

2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate (PubChem CID 2473500) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate
PubChem CID2473500
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate
SMILESC/N=C(\NC)SCCOc1ccc(OC)cc1
InChIInChI=1S/C12H18N2O2S/c1-13-12(14-2)17-9-8-16-11-6-4-10(15-3)5-7-11/h4-7H,8-9H2,1-3H3,(H,13,14)
InChIKeyHBYXLFVZTXCFCB-UHFFFAOYSA-N
XLogP2.01
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenoxy)ethyl N'-ethylcarbamimidothioate
CID 8774947
2-(4-methoxyphenoxy)ethyl N'-aminocarbamimidothioate
CID 77060666
5-(4-methoxyphenoxy)-N-methylpentan-1-amine
CID 62458714
1-butyl-3-[3-(4-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111150409
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-[2-(4-methoxyphenoxy)ethylsulfanyl]propan-1-amine
CID 66218381
1-(2-ethoxyethyl)-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 111410220
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
1-(4-methoxyphenoxy)-N-methylmethanamine
CID 22961125
1-[3-(4-methoxyphenoxy)propyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111182264
1-(3-ethoxypropyl)-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 111222989

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate?
The IUPAC name of 2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate (CID 2473500) is 2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate.
What is the SMILES notation for 2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate?
The canonical SMILES for 2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate is C/N=C(\NC)SCCOc1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate?
The InChIKey is HBYXLFVZTXCFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-13-12(14-2)17-9-8-16-11-6-4-10(15-3)5-7-11/h4-7H,8-9H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate?
2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate has a molecular weight of 254.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)ethyl N,N'-dimethylcarbamimidothioate is sourced from PubChem (CID 2473500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).