5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide

C14H10Cl3NOS — CID 135957300

IUPAC5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide
SMILESOc1ccc(Cl)cc1C(=S)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl3NOS/c15-9-2-4-13(19)10(6-9)14(20)18-7-8-1-3-11(16)12(17)5-8/h1-6,19H,7H2,(H,18,20)
InChIKeyXRSFWNCQQWAGFG-UHFFFAOYSA-N
MW346.67 g/mol
LogP4.82
Rot. Bonds3

About 5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide

5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide (PubChem CID 135957300) has the molecular formula C14H10Cl3NOS and a molecular weight of 346.67 g/mol. Its IUPAC name is 5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide.

Molecular Properties

Compound Name5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide
PubChem CID135957300
Molecular FormulaC14H10Cl3NOS
Molecular Weight346.67 g/mol
Exact Mass344.95
IUPAC Name5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide
SMILESOc1ccc(Cl)cc1C(=S)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl3NOS/c15-9-2-4-13(19)10(6-9)14(20)18-7-8-1-3-11(16)12(17)5-8/h1-6,19H,7H2,(H,18,20)
InChIKeyXRSFWNCQQWAGFG-UHFFFAOYSA-N
XLogP4.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.67
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide?
The IUPAC name of 5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide (CID 135957300) is 5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide.
What is the SMILES notation for 5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide?
The canonical SMILES for 5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide is Oc1ccc(Cl)cc1C(=S)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide?
The InChIKey is XRSFWNCQQWAGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NOS/c15-9-2-4-13(19)10(6-9)14(20)18-7-8-1-3-11(16)12(17)5-8/h1-6,19H,7H2,(H,18,20).
What are the key properties of 5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide?
5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide has a molecular weight of 346.67 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3,4-dichlorophenyl)methyl]-2-hydroxybenzenecarbothioamide is sourced from PubChem (CID 135957300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).