2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate

C17H18Cl2N2OS — CID 8776664

IUPAC2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate
SMILESCc1ccc(/N=C(/N)SCCOc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C17H18Cl2N2OS/c1-11-3-5-14(9-12(11)2)21-17(20)23-8-7-22-16-6-4-13(18)10-15(16)19/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21)
InChIKeyFQGLIZMSERLZEH-UHFFFAOYSA-N
MW369.32 g/mol
LogP5.37
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate

2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate (PubChem CID 8776664) has the molecular formula C17H18Cl2N2OS and a molecular weight of 369.32 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate
PubChem CID8776664
Molecular FormulaC17H18Cl2N2OS
Molecular Weight369.32 g/mol
Exact Mass368.05
IUPAC Name2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate
SMILESCc1ccc(/N=C(/N)SCCOc2ccc(Cl)cc2Cl)cc1C
InChIInChI=1S/C17H18Cl2N2OS/c1-11-3-5-14(9-12(11)2)21-17(20)23-8-7-22-16-6-4-13(18)10-15(16)19/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21)
InChIKeyFQGLIZMSERLZEH-UHFFFAOYSA-N
XLogP5.37
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.32
LogP ≤ 55.37
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-(2,4-dichlorophenoxy)ethyl N'-[(2S)-butan-2-yl]carbamimidothioate
CID 8775084
2-(2-fluorophenoxy)ethyl N'-(4-chlorophenyl)carbamimidothioate
CID 8775323
2-(4-chlorophenoxy)ethyl N'-(3-methylphenyl)carbamimidothioate
CID 8776546
(4,5-dimethoxy-2-methylphenyl)methyl N'-(3,4-dimethylphenyl)carbamimidothioate
CID 8776679
2-(2-chlorophenoxy)ethyl N'-[4-[(2R)-butan-2-yl]phenyl]carbamimidothioate
CID 8776033
2-(2-chlorophenoxy)ethyl N'-methylcarbamimidothioate
CID 8776329
3-[(2,4-dichlorophenoxy)methyl]-4-methoxyaniline
CID 43247195
2-[4-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-methoxy-2-methylphenoxy]acetic acid
CID 22504785
2-[3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65294256
4-[2-(4-chloro-2-methylphenoxy)ethylsulfanyl]aniline
CID 39403149
4-(2,4-dichlorophenoxy)-2,2-dimethylbutanethioamide
CID 65249358
2-[2-(4-chloro-2-methylphenoxy)ethylamino]guanidine
CID 95455698

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate?
The IUPAC name of 2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate (CID 8776664) is 2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate?
The canonical SMILES for 2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate is Cc1ccc(/N=C(/N)SCCOc2ccc(Cl)cc2Cl)cc1C.
What is the InChIKey of 2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate?
The InChIKey is FQGLIZMSERLZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2OS/c1-11-3-5-14(9-12(11)2)21-17(20)23-8-7-22-16-6-4-13(18)10-15(16)19/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21).
What are the key properties of 2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate?
2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate has a molecular weight of 369.32 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)ethyl N'-(3,4-dimethylphenyl)carbamimidothioate is sourced from PubChem (CID 8776664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).