methyl N'-(2-phenoxyethyl)carbamimidothioate

C10H14N2OS — CID 163795646

IUPACmethyl N'-(2-phenoxyethyl)carbamimidothioate
SMILESCS/C(N)=N\CCOc1ccccc1
InChIInChI=1S/C10H14N2OS/c1-14-10(11)12-7-8-13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,11,12)
InChIKeyFERKWIYXBOENRE-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.74
Rot. Bonds4

About methyl N'-(2-phenoxyethyl)carbamimidothioate

methyl N'-(2-phenoxyethyl)carbamimidothioate (PubChem CID 163795646) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is methyl N'-(2-phenoxyethyl)carbamimidothioate.

Molecular Properties

Compound Namemethyl N'-(2-phenoxyethyl)carbamimidothioate
PubChem CID163795646
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Namemethyl N'-(2-phenoxyethyl)carbamimidothioate
SMILESCS/C(N)=N\CCOc1ccccc1
InChIInChI=1S/C10H14N2OS/c1-14-10(11)12-7-8-13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,11,12)
InChIKeyFERKWIYXBOENRE-UHFFFAOYSA-N
XLogP1.74
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenoxyethyl N'-methylcarbamimidothioate
CID 8776313
1-(diaminomethylidene)-2-(2-phenoxyethyl)guanidine
CID 11401770
2-(2-phenoxyethyl)-1-propan-2-ylguanidine
CID 62361568
2-[2-(4-phenylphenoxy)ethyl]guanidine
CID 95464158
N'-(3-phenoxypropyl)propanimidamide
CID 63175356
1-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569
ethane;2-methylsulfanylethoxybenzene
CID 54419236
1-cyclopropyl-2-(2-phenoxyethyl)guanidine;hydrobromide
CID 126812379
methyl N'-(2,2-diphenylpropyl)carbamimidothioate
CID 24776191
2-[2-(3-methoxyphenoxy)ethyl]-1-phenylguanidine
CID 100667411
2-nitrosoethoxybenzene
CID 23511453
N'-(2-phenoxyethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111028465

Frequently Asked Questions

What is the IUPAC name of methyl N'-(2-phenoxyethyl)carbamimidothioate?
The IUPAC name of methyl N'-(2-phenoxyethyl)carbamimidothioate (CID 163795646) is methyl N'-(2-phenoxyethyl)carbamimidothioate.
What is the SMILES notation for methyl N'-(2-phenoxyethyl)carbamimidothioate?
The canonical SMILES for methyl N'-(2-phenoxyethyl)carbamimidothioate is CS/C(N)=N\CCOc1ccccc1.
What is the InChIKey of methyl N'-(2-phenoxyethyl)carbamimidothioate?
The InChIKey is FERKWIYXBOENRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-14-10(11)12-7-8-13-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,11,12).
What are the key properties of methyl N'-(2-phenoxyethyl)carbamimidothioate?
methyl N'-(2-phenoxyethyl)carbamimidothioate has a molecular weight of 210.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(2-phenoxyethyl)carbamimidothioate is sourced from PubChem (CID 163795646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).