2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate

C10H13ClN2OS — CID 8776329

IUPAC2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate
SMILESC/N=C(\N)SCCOc1ccccc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-13-10(12)15-7-6-14-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H2,12,13)
InChIKeyKUGDWNHNOKQQLA-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.40
Rot. Bonds4

About 2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate

2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate (PubChem CID 8776329) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate.

Molecular Properties

Compound Name2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate
PubChem CID8776329
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate
SMILESC/N=C(\N)SCCOc1ccccc1Cl
InChIInChI=1S/C10H13ClN2OS/c1-13-10(12)15-7-6-14-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H2,12,13)
InChIKeyKUGDWNHNOKQQLA-UHFFFAOYSA-N
XLogP2.40
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.40
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'}

Analyze 2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenoxy)ethyl N'-tert-butylcarbamimidothioate
CID 8776602
2-(2-chlorophenoxy)ethyl N'-[(2R)-1-methoxypropan-2-yl]carbamimidothioate
CID 8775840
2-phenoxyethyl N'-methylcarbamimidothioate
CID 8776313
2-(2-chlorophenoxy)ethyl N'-[4-[(2R)-butan-2-yl]phenyl]carbamimidothioate
CID 8776033
1-[2-(2-chlorophenoxy)ethylsulfanyl]propan-2-amine
CID 66218937
2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate
CID 8775323
3-[2-(2-chlorophenoxy)ethylsulfanyl]-4-methylaniline
CID 79140785
bis[2-(2-chlorophenoxy)ethyl] oxalate
CID 68775442
3-(2-chlorophenoxy)propyl acetate
CID 59706608
(2S)-2-amino-3-[2-(2-chlorophenoxy)ethylsulfanyl]propanoic acid
CID 93031277
2-(2-acetylphenoxy)ethyl N'-aminocarbamimidothioate
CID 77061098
1-chloro-2-(4-methoxybutoxy)benzene
CID 59339544

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate?
The IUPAC name of 2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate (CID 8776329) is 2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate.
What is the SMILES notation for 2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate?
The canonical SMILES for 2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate is C/N=C(\N)SCCOc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate?
The InChIKey is KUGDWNHNOKQQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-13-10(12)15-7-6-14-9-5-3-2-4-8(9)11/h2-5H,6-7H2,1H3,(H2,12,13).
What are the key properties of 2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate?
2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate has a molecular weight of 244.75 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate is sourced from PubChem (CID 8776329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).