5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide

C14H10Cl3NOS — CID 20991923

IUPAC5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide
SMILESNC(=S)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl3NOS/c15-9-2-4-13(10(6-9)14(18)20)19-7-8-1-3-11(16)12(17)5-8/h1-6H,7H2,(H2,18,20)
InChIKeyBHWZJPBPQSYRIQ-UHFFFAOYSA-N
MW346.67 g/mol
LogP4.86
Rot. Bonds4

About 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide

5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide (PubChem CID 20991923) has the molecular formula C14H10Cl3NOS and a molecular weight of 346.67 g/mol. Its IUPAC name is 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide.

Molecular Properties

Compound Name5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide
PubChem CID20991923
Molecular FormulaC14H10Cl3NOS
Molecular Weight346.67 g/mol
Exact Mass344.95
IUPAC Name5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide
SMILESNC(=S)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl3NOS/c15-9-2-4-13(10(6-9)14(18)20)19-7-8-1-3-11(16)12(17)5-8/h1-6H,7H2,(H2,18,20)
InChIKeyBHWZJPBPQSYRIQ-UHFFFAOYSA-N
XLogP4.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.67
LogP ≤ 54.86
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

5-chloro-2-[(4-methoxyphenyl)methoxy]benzenecarbothioamide
CID 62494579
5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzoyl chloride
CID 46779756
2-(1,3-benzodioxol-5-ylmethoxy)-5-chlorobenzenecarbothioamide
CID 62494738
4-[(3,4-dichlorophenyl)methoxy]-3-ethoxybenzenecarbothioamide
CID 20988291
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
4-chloro-2-[(4-methylphenyl)methoxy]benzenecarbothioamide
CID 114323054
5-chloro-2-(2,4,5-trichlorophenoxy)benzenecarbothioamide
CID 63519450
5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77056964
5-chloro-2-(3,3,3-trifluoropropoxy)benzenecarbothioamide
CID 82955460
5-[(2,3-dichlorophenoxy)methyl]-2-fluorobenzenecarbothioamide
CID 107879818
4-[(2-bromo-4-chlorophenoxy)methyl]pyridine-2-carbothioamide
CID 63880550
5-chloro-2-[2-(dimethylamino)-2-methylpropoxy]benzenecarbothioamide
CID 79680217

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide?
The IUPAC name of 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide (CID 20991923) is 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide.
What is the SMILES notation for 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide?
The canonical SMILES for 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide is NC(=S)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide?
The InChIKey is BHWZJPBPQSYRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NOS/c15-9-2-4-13(10(6-9)14(18)20)19-7-8-1-3-11(16)12(17)5-8/h1-6H,7H2,(H2,18,20).
What are the key properties of 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide?
5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide has a molecular weight of 346.67 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3,4-dichlorophenyl)methoxy]benzenecarbothioamide is sourced from PubChem (CID 20991923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).