2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide

C14H10Cl2FNOS — CID 107881174

IUPAC2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H10Cl2FNOS/c15-9-5-4-8(6-11(9)17)7-19-12-3-1-2-10(16)13(12)14(18)20/h1-6H,7H2,(H2,18,20)
InChIKeyADWLBSIBEBZGOH-UHFFFAOYSA-N
MW330.21 g/mol
LogP4.35
Rot. Bonds4

About 2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide

2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide (PubChem CID 107881174) has the molecular formula C14H10Cl2FNOS and a molecular weight of 330.21 g/mol. Its IUPAC name is 2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide.

Molecular Properties

Compound Name2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide
PubChem CID107881174
Molecular FormulaC14H10Cl2FNOS
Molecular Weight330.21 g/mol
Exact Mass328.98
IUPAC Name2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide
SMILESNC(=S)c1c(Cl)cccc1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H10Cl2FNOS/c15-9-5-4-8(6-11(9)17)7-19-12-3-1-2-10(16)13(12)14(18)20/h1-6H,7H2,(H2,18,20)
InChIKeyADWLBSIBEBZGOH-UHFFFAOYSA-N
XLogP4.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-[(2-fluorophenyl)methoxy]benzenecarbothioamide
CID 63937150
2-amino-6-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107882860
5-[(2,3-dichlorophenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879818
2-[(3-chloro-2-fluorophenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 102855950
2-chloro-6-[(2-chlorophenyl)methoxy]benzenecarbothioamide
CID 62496881
2-[(2-chloro-4-fluorophenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 43609343
2-chloro-6-(pyrimidin-2-ylmethoxy)benzenecarbothioamide
CID 113277340
2-[(3,4-dichlorophenyl)methoxy]-6-fluorobenzenecarboximidamide
CID 43609384
2-chloro-6-(2,2,2-trifluoroethoxy)benzenecarbothioamide
CID 62496555
2-chloro-6-[(3,4-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323309
2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483
2-[(2-chloro-4-methylphenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 106863550

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide?
The IUPAC name of 2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide (CID 107881174) is 2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide.
What is the SMILES notation for 2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide?
The canonical SMILES for 2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide is NC(=S)c1c(Cl)cccc1OCc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide?
The InChIKey is ADWLBSIBEBZGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FNOS/c15-9-5-4-8(6-11(9)17)7-19-12-3-1-2-10(16)13(12)14(18)20/h1-6H,7H2,(H2,18,20).
What are the key properties of 2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide?
2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide has a molecular weight of 330.21 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-chloro-3-fluorophenyl)methoxy]benzenecarbothioamide is sourced from PubChem (CID 107881174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).