5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline

C13H10Cl3NS2 — CID 130412201

IUPAC5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline
SMILESCSc1ccc(Cl)cc1NSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl3NS2/c1-18-13-5-2-8(14)6-12(13)17-19-9-3-4-10(15)11(16)7-9/h2-7,17H,1H3
InChIKeyHRGWCRISVWPVMW-UHFFFAOYSA-N
MW350.72 g/mol
LogP6.49
Rot. Bonds4

About 5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline

5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline (PubChem CID 130412201) has the molecular formula C13H10Cl3NS2 and a molecular weight of 350.72 g/mol. Its IUPAC name is 5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline.

Molecular Properties

Compound Name5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline
PubChem CID130412201
Molecular FormulaC13H10Cl3NS2
Molecular Weight350.72 g/mol
Exact Mass348.93
IUPAC Name5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline
SMILESCSc1ccc(Cl)cc1NSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl3NS2/c1-18-13-5-2-8(14)6-12(13)17-19-9-3-4-10(15)11(16)7-9/h2-7,17H,1H3
InChIKeyHRGWCRISVWPVMW-UHFFFAOYSA-N
XLogP6.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.72
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-methyl-2-methylsulfanylaniline
CID 82264896
5-chloro-N-(5-methylfuran-2-yl)sulfanyl-2-methylsulfanylaniline
CID 130412263
(5-chloro-2-methylsulfanylphenyl)hydrazine;hydrochloride
CID 69183681
5-chloro-N-(cyclopropylmethyl)-2-methylsulfanylaniline
CID 130905382
5-chloro-3-N-(3,4-dichlorophenyl)sulfanyl-2-N-(2,3-dihydro-1H-1,2,4-triazol-5-yl)pyridine-2,3-diamine
CID 143484843
1,2-dichloro-4-propan-2-ylsulfanylbenzene
CID 59882028
S-[4-chloro-2-[2-(3,4-dichlorophenyl)ethylsulfanylamino]phenyl]thiohydroxylamine
CID 143826058
1-(5-chloro-2-methylsulfanylphenyl)pyrrolidine
CID 59540946
N-[5-[(2,5-dichlorophenyl)sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100574955
3-bromo-N-(2,5-dichlorophenyl)sulfanyl-2,4-difluoroaniline
CID 156833236
methane;1,2,4-trichlorobenzene
CID 157397102
5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylsulfanyl)-2-methoxyaniline
CID 144544539

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline?
The IUPAC name of 5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline (CID 130412201) is 5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline.
What is the SMILES notation for 5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline?
The canonical SMILES for 5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline is CSc1ccc(Cl)cc1NSc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline?
The InChIKey is HRGWCRISVWPVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NS2/c1-18-13-5-2-8(14)6-12(13)17-19-9-3-4-10(15)11(16)7-9/h2-7,17H,1H3.
What are the key properties of 5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline?
5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline has a molecular weight of 350.72 g/mol, XLogP of 6.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline is sourced from PubChem (CID 130412201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).