5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide

C15H14ClNOS — CID 63518243

IUPAC5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide
SMILESCCc1ccc(Oc2ccc(Cl)cc2C(N)=S)cc1
InChIInChI=1S/C15H14ClNOS/c1-2-10-3-6-12(7-4-10)18-14-8-5-11(16)9-13(14)15(17)19/h3-9H,2H2,1H3,(H2,17,19)
InChIKeyMUIKALXQCKTGSA-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.33
Rot. Bonds4

About 5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide

5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide (PubChem CID 63518243) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is 5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide.

Molecular Properties

Compound Name5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide
PubChem CID63518243
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC Name5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide
SMILESCCc1ccc(Oc2ccc(Cl)cc2C(N)=S)cc1
InChIInChI=1S/C15H14ClNOS/c1-2-10-3-6-12(7-4-10)18-14-8-5-11(16)9-13(14)15(17)19/h3-9H,2H2,1H3,(H2,17,19)
InChIKeyMUIKALXQCKTGSA-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide 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

5-chloro-2-(4-propylphenoxy)benzenecarbothioamide
CID 63518437
2-chloro-4-(4-ethylphenoxy)benzenecarbothioamide
CID 55152064
5-chloro-2-(3-chlorophenoxy)benzenecarbothioamide
CID 63520511
5-chloro-2-[(4-methoxyphenyl)methoxy]benzenecarbothioamide
CID 62494579
4-chloro-2-(4-methylphenoxy)benzenecarbothioamide
CID 63092156
5-bromo-2-(4-propylphenoxy)benzenecarbothioamide
CID 114892261
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331
5-chloro-2-(2,4,5-trichlorophenoxy)benzenecarbothioamide
CID 63519450
5-bromo-2-[4-(hydroxymethyl)phenoxy]benzenecarbothioamide
CID 114892255
1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855442
2-(4-bromophenoxy)-4-chlorobenzenecarbothioamide
CID 63519808
ethyl 5-chloro-2-phenoxybenzoate
CID 11652014

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide?
The IUPAC name of 5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide (CID 63518243) is 5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide.
What is the SMILES notation for 5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide?
The canonical SMILES for 5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide is CCc1ccc(Oc2ccc(Cl)cc2C(N)=S)cc1.
What is the InChIKey of 5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide?
The InChIKey is MUIKALXQCKTGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-2-10-3-6-12(7-4-10)18-14-8-5-11(16)9-13(14)15(17)19/h3-9H,2H2,1H3,(H2,17,19).
What are the key properties of 5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide?
5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide has a molecular weight of 291.80 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-ethylphenoxy)benzenecarbothioamide is sourced from PubChem (CID 63518243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).