5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide

C13H9Cl3N2S — CID 63518190

IUPAC5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide
SMILESNC(=S)c1cc(Cl)ccc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl3N2S/c14-7-4-5-10(8(6-7)13(17)19)18-11-3-1-2-9(15)12(11)16/h1-6,18H,(H2,17,19)
InChIKeyRCTGTFNRJNARME-UHFFFAOYSA-N
MW331.66 g/mol
LogP5.02
Rot. Bonds3

About 5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide

5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide (PubChem CID 63518190) has the molecular formula C13H9Cl3N2S and a molecular weight of 331.66 g/mol. Its IUPAC name is 5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide.

Molecular Properties

Compound Name5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide
PubChem CID63518190
Molecular FormulaC13H9Cl3N2S
Molecular Weight331.66 g/mol
Exact Mass329.96
IUPAC Name5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide
SMILESNC(=S)c1cc(Cl)ccc1Nc1cccc(Cl)c1Cl
InChIInChI=1S/C13H9Cl3N2S/c14-7-4-5-10(8(6-7)13(17)19)18-11-3-1-2-9(15)12(11)16/h1-6,18H,(H2,17,19)
InChIKeyRCTGTFNRJNARME-UHFFFAOYSA-N
XLogP5.02
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.66
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-chloroanilino)benzenecarbothioamide
CID 55223289
5-chloro-2-(2,3-difluoroanilino)benzenecarbothioamide
CID 62494029
5-chloro-2-(2,6-dimethylanilino)benzenecarbothioamide
CID 63518350
5-chloro-2-(2-chloro-5-methylanilino)benzenecarbothioamide
CID 107635512
2-bromo-4-(2,3-dichloroanilino)-3-fluorobenzenecarbothioamide
CID 107534627
5-chloro-2-[(2-methyl-3-pyridinyl)amino]benzenecarbothioamide
CID 79044071
5-chloro-2-[2-(methoxymethyl)anilino]benzenecarbothioamide
CID 62495055
2-(2-chloroanilino)benzenecarbothioamide
CID 28601867
5-chloro-2-(2-fluoro-5-methylanilino)benzenecarbothioamide
CID 55224997
5-chloro-2-(2-fluoro-4-methylanilino)benzenecarbothioamide
CID 63518880
2-bromo-6-(2,3-dichloroanilino)benzenecarbothioamide
CID 114881922
2-(2-bromo-4-fluoroanilino)-5-chlorobenzenecarbothioamide
CID 63519582

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide?
The IUPAC name of 5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide (CID 63518190) is 5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide.
What is the SMILES notation for 5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide?
The canonical SMILES for 5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide is NC(=S)c1cc(Cl)ccc1Nc1cccc(Cl)c1Cl.
What is the InChIKey of 5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide?
The InChIKey is RCTGTFNRJNARME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N2S/c14-7-4-5-10(8(6-7)13(17)19)18-11-3-1-2-9(15)12(11)16/h1-6,18H,(H2,17,19).
What are the key properties of 5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide?
5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide has a molecular weight of 331.66 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,3-dichloroanilino)benzenecarbothioamide is sourced from PubChem (CID 63518190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).