S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine

C14H11Cl3N2S2 — CID 143826097

IUPACS-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine
SMILESNSc1cc(Cl)ccc1NS/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2S2/c15-10-2-4-13(14(8-10)21-18)19-20-6-5-9-1-3-11(16)12(17)7-9/h1-8,19H,18H2/b6-5+
InChIKeyYAXRQJQNNJRUPG-AATRIKPKSA-N
MW377.75 g/mol
LogP6.34
Rot. Bonds5

About S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine

S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine (PubChem CID 143826097) has the molecular formula C14H11Cl3N2S2 and a molecular weight of 377.75 g/mol. Its IUPAC name is S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine
PubChem CID143826097
Molecular FormulaC14H11Cl3N2S2
Molecular Weight377.75 g/mol
Exact Mass375.94
IUPAC NameS-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine
SMILESNSc1cc(Cl)ccc1NS/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl3N2S2/c15-10-2-4-13(14(8-10)21-18)19-20-6-5-9-1-3-11(16)12(17)7-9/h1-8,19H,18H2/b6-5+
InChIKeyYAXRQJQNNJRUPG-AATRIKPKSA-N
XLogP6.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.75
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

S-[4-chloro-2-[2-(3,4-dichlorophenyl)ethylsulfanylamino]phenyl]thiohydroxylamine
CID 143826058
3-bromo-N-(2,5-dichlorophenyl)sulfanyl-2,4-difluoroaniline
CID 156833236
methane;1,2,4-trichlorobenzene
CID 157397102
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
N-(2-benzoyl-4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4184511
1,2-dichloro-4-[3-(4-chlorophenyl)-3-[1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enyl]sulfonylprop-1-enyl]benzene
CID 173033063
5-chloro-N-(3,4-dichlorophenyl)sulfanyl-2-methylsulfanylaniline
CID 130412201
(3,4-dichlorophenyl)methylidenehydrazine
CID 3297701
sodium;hydride;1,2,4-trichlorobenzene
CID 173452443
5-chloro-3-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2-methyl-1H-indole
CID 121402875
N'-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3-methylbutanimidamide
CID 23469608

Frequently Asked Questions

What is the IUPAC name of S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine?
The IUPAC name of S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine (CID 143826097) is S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine.
What is the SMILES notation for S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine?
The canonical SMILES for S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine is NSc1cc(Cl)ccc1NS/C=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine?
The InChIKey is YAXRQJQNNJRUPG-AATRIKPKSA-N. The full InChI is InChI=1S/C14H11Cl3N2S2/c15-10-2-4-13(14(8-10)21-18)19-20-6-5-9-1-3-11(16)12(17)7-9/h1-8,19H,18H2/b6-5+.
What are the key properties of S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine?
S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine has a molecular weight of 377.75 g/mol, XLogP of 6.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[5-chloro-2-[[(E)-2-(3,4-dichlorophenyl)ethenyl]sulfanylamino]phenyl]thiohydroxylamine is sourced from PubChem (CID 143826097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).