methyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate

C10H14N2OS — CID 2725555

IUPACmethyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate
SMILESC/N=C(/Nc1ccccc1OC)SC
InChIInChI=1S/C10H14N2OS/c1-11-10(14-3)12-8-6-4-5-7-9(8)13-2/h4-7H,1-3H3,(H,11,12)
InChIKeyHNCOLANXHWEDEF-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.46
Rot. Bonds2

About methyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate

methyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate (PubChem CID 2725555) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is methyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate.

Molecular Properties

Compound Namemethyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate
PubChem CID2725555
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Namemethyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate
SMILESC/N=C(/Nc1ccccc1OC)SC
InChIInChI=1S/C10H14N2OS/c1-11-10(14-3)12-8-6-4-5-7-9(8)13-2/h4-7H,1-3H3,(H,11,12)
InChIKeyHNCOLANXHWEDEF-UHFFFAOYSA-N
XLogP2.46
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate?
The IUPAC name of methyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate (CID 2725555) is methyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate.
What is the SMILES notation for methyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate?
The canonical SMILES for methyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate is C/N=C(/Nc1ccccc1OC)SC.
What is the InChIKey of methyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate?
The InChIKey is HNCOLANXHWEDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-11-10(14-3)12-8-6-4-5-7-9(8)13-2/h4-7H,1-3H3,(H,11,12).
What are the key properties of methyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate?
methyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate has a molecular weight of 210.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methoxyphenyl)-N'-methylcarbamimidothioate is sourced from PubChem (CID 2725555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).