2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene

C7H6Cl3NS — CID 142470358

IUPAC2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene
SMILESClNSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl3NS/c8-6-2-1-5(4-12-11-10)7(9)3-6/h1-3,11H,4H2
InChIKeyPQPGNWLYAXHUHZ-UHFFFAOYSA-N
MW242.56 g/mol
LogP3.88
Rot. Bonds3

About 2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene

2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene (PubChem CID 142470358) has the molecular formula C7H6Cl3NS and a molecular weight of 242.56 g/mol. Its IUPAC name is 2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene
PubChem CID142470358
Molecular FormulaC7H6Cl3NS
Molecular Weight242.56 g/mol
Exact Mass240.93
IUPAC Name2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene
SMILESClNSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C7H6Cl3NS/c8-6-2-1-5(4-12-11-10)7(9)3-6/h1-3,11H,4H2
InChIKeyPQPGNWLYAXHUHZ-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-[6-[(2,4-dichlorophenyl)methylsulfanyl]hexylsulfanylmethyl]benzene
CID 5078531
(2,4-dichlorophenyl)methylphosphane
CID 134447961
(2,4-dichlorophenyl)methylsulfanyl phosphite
CID 18922904
1-[(2,4-dichlorophenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66229738
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
[(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate
CID 44887465
1-(2,4-dichlorophenyl)-N-(2-fluoroethyl)methanesulfonamide
CID 59623734
[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol
CID 113371994
N-[(2,4-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115733095
N-[(2,4-dichlorophenyl)methyl]methanethioamide
CID 58279654
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
2-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene?
The IUPAC name of 2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene (CID 142470358) is 2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene is ClNSCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene?
The InChIKey is PQPGNWLYAXHUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl3NS/c8-6-2-1-5(4-12-11-10)7(9)3-6/h1-3,11H,4H2.
What are the key properties of 2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene?
2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene has a molecular weight of 242.56 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene is sourced from PubChem (CID 142470358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).