[[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium

C17H18Cl2N3S+ — CID 2764720

IUPAC[[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium
SMILESC[N+](C)=C/N=C(/Nc1ccccc1)SCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2N3S/c1-22(2)12-20-17(21-13-7-4-3-5-8-13)23-11-14-15(18)9-6-10-16(14)19/h3-10,12H,11H2,1-2H3/p+1
InChIKeyASRKZOUNGQQGMC-UHFFFAOYSA-O
MW367.33 g/mol
LogP5.00
Rot. Bonds4

About [[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium

[[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium (PubChem CID 2764720) has the molecular formula C17H18Cl2N3S+ and a molecular weight of 367.33 g/mol. Its IUPAC name is [[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium.

Molecular Properties

Compound Name[[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium
PubChem CID2764720
Molecular FormulaC17H18Cl2N3S+
Molecular Weight367.33 g/mol
Exact Mass366.06
IUPAC Name[[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium
SMILESC[N+](C)=C/N=C(/Nc1ccccc1)SCc1c(Cl)cccc1Cl
InChIInChI=1S/C17H17Cl2N3S/c1-22(2)12-20-17(21-13-7-4-3-5-8-13)23-11-14-15(18)9-6-10-16(14)19/h3-10,12H,11H2,1-2H3/p+1
InChIKeyASRKZOUNGQQGMC-UHFFFAOYSA-O
XLogP5.00
TPSA27.40 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium?
The IUPAC name of [[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium (CID 2764720) is [[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium.
What is the SMILES notation for [[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium?
The canonical SMILES for [[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium is C[N+](C)=C/N=C(/Nc1ccccc1)SCc1c(Cl)cccc1Cl.
What is the InChIKey of [[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium?
The InChIKey is ASRKZOUNGQQGMC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H17Cl2N3S/c1-22(2)12-20-17(21-13-7-4-3-5-8-13)23-11-14-15(18)9-6-10-16(14)19/h3-10,12H,11H2,1-2H3/p+1.
What are the key properties of [[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium?
[[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium has a molecular weight of 367.33 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[anilino-[(2,6-dichlorophenyl)methylsulfanyl]methylidene]amino]methylidene-dimethylazanium is sourced from PubChem (CID 2764720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).