2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide

C13H9Cl2FN2S — CID 62502117

IUPAC2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1Nc1cccc(Cl)c1F
InChIInChI=1S/C13H9Cl2FN2S/c14-7-3-1-5-9(11(7)13(17)19)18-10-6-2-4-8(15)12(10)16/h1-6,18H,(H2,17,19)
InChIKeyJOVOJSIIIHVPID-UHFFFAOYSA-N
MW315.20 g/mol
LogP4.51
Rot. Bonds3

About 2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide

2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide (PubChem CID 62502117) has the molecular formula C13H9Cl2FN2S and a molecular weight of 315.20 g/mol. Its IUPAC name is 2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide
PubChem CID62502117
Molecular FormulaC13H9Cl2FN2S
Molecular Weight315.20 g/mol
Exact Mass313.98
IUPAC Name2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1Nc1cccc(Cl)c1F
InChIInChI=1S/C13H9Cl2FN2S/c14-7-3-1-5-9(11(7)13(17)19)18-10-6-2-4-8(15)12(10)16/h1-6,18H,(H2,17,19)
InChIKeyJOVOJSIIIHVPID-UHFFFAOYSA-N
XLogP4.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(3-chloro-2-fluoroanilino)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

2-chloro-6-(2,4-difluoroanilino)benzenecarbothioamide
CID 62501097
2-chloro-6-(3-chloro-2-methylanilino)benzenecarbothioamide
CID 62501422
2-bromo-6-(2,3-dichloroanilino)benzenecarbothioamide
CID 114881922
3-(2-carbamothioyl-3-chloroanilino)benzamide
CID 107811431
4-(2-bromo-3-chloroanilino)-2,3-difluorobenzenecarbothioamide
CID 107935337
2-chloro-6-(3-chloro-4-methylanilino)benzenecarbothioamide
CID 62501590
2-chloro-6-(2-methoxy-5-methylanilino)benzenecarbothioamide
CID 62501918
2-amino-6-(3-chloro-2-fluoroanilino)-3-fluorobenzoic acid
CID 83214767
2-bromo-6-(3,5-dichloro-4-fluoroanilino)benzenecarbothioamide
CID 107574800
2-chloro-6-(3,5-dimethoxyanilino)benzenecarbothioamide
CID 62501088
2-chloro-6-(2,4-dibromo-5-methoxyanilino)benzenecarbothioamide
CID 103414359
2-bromo-4-(2,3-dichloroanilino)-3-fluorobenzenecarbothioamide
CID 107534627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide?
The IUPAC name of 2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide (CID 62502117) is 2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide.
What is the SMILES notation for 2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide?
The canonical SMILES for 2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide is NC(=S)c1c(Cl)cccc1Nc1cccc(Cl)c1F.
What is the InChIKey of 2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide?
The InChIKey is JOVOJSIIIHVPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN2S/c14-7-3-1-5-9(11(7)13(17)19)18-10-6-2-4-8(15)12(10)16/h1-6,18H,(H2,17,19).
What are the key properties of 2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide?
2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide has a molecular weight of 315.20 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide is sourced from PubChem (CID 62502117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).