(2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate

C19H10Cl2O2S — CID 611094

IUPAC(2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1Cl)c1cc2ccc3ccccc3c2s1
InChIInChI=1S/C19H10Cl2O2S/c20-13-7-8-16(15(21)10-13)23-19(22)17-9-12-6-5-11-3-1-2-4-14(11)18(12)24-17/h1-10H
InChIKeyUBHFIJCJTZOYSO-UHFFFAOYSA-N
MW373.26 g/mol
LogP6.58
Rot. Bonds2

About (2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate

(2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate (PubChem CID 611094) has the molecular formula C19H10Cl2O2S and a molecular weight of 373.26 g/mol. Its IUPAC name is (2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate.

Molecular Properties

Compound Name(2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate
PubChem CID611094
Molecular FormulaC19H10Cl2O2S
Molecular Weight373.26 g/mol
Exact Mass371.98
IUPAC Name(2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate
SMILESO=C(Oc1ccc(Cl)cc1Cl)c1cc2ccc3ccccc3c2s1
InChIInChI=1S/C19H10Cl2O2S/c20-13-7-8-16(15(21)10-13)23-19(22)17-9-12-6-5-11-3-1-2-4-14(11)18(12)24-17/h1-10H
InChIKeyUBHFIJCJTZOYSO-UHFFFAOYSA-N
XLogP6.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.26
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate 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-(2,4-dichlorophenoxy)-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 3262118
(2,4-dichlorophenyl) 2-hydroxybenzoate
CID 520433
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
(2-formylnaphthalen-1-yl) 2-(2,4-dichlorophenoxy)acetate
CID 23010873
(2,4-dichlorophenyl) furan-2-carboxylate
CID 3880755
(1-iodonaphthalen-2-yl) 3,4-dichlorobenzoate
CID 2725721
[1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3950984
bis(2,4-dichlorophenyl) pentanedioate
CID 91739168
(4-chloro-2-methylphenyl) 4,5-dibromothiophene-2-carboxylate
CID 19205225
[1-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6305314
[1-[(pyridine-4-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 4987854
4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate?
The IUPAC name of (2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate (CID 611094) is (2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate.
What is the SMILES notation for (2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate?
The canonical SMILES for (2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate is O=C(Oc1ccc(Cl)cc1Cl)c1cc2ccc3ccccc3c2s1.
What is the InChIKey of (2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate?
The InChIKey is UBHFIJCJTZOYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2O2S/c20-13-7-8-16(15(21)10-13)23-19(22)17-9-12-6-5-11-3-1-2-4-14(11)18(12)24-17/h1-10H.
What are the key properties of (2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate?
(2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate has a molecular weight of 373.26 g/mol, XLogP of 6.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl) benzo[g][1]benzothiole-2-carboxylate is sourced from PubChem (CID 611094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).