[(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate

C10H13Cl3N2O4S — CID 44887465

IUPAC[(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate
SMILESCN/C(=[NH+]\C)SCc1ccc(Cl)cc1Cl.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H12Cl2N2S.ClHO4/c1-13-10(14-2)15-6-7-3-4-8(11)5-9(7)12;2-1(3,4)5/h3-5H,6H2,1-2H3,(H,13,14);(H,2,3,4,5)
InChIKeyFBWZNOMOIWSAHV-UHFFFAOYSA-N
MW363.65 g/mol
LogP-3.24
Rot. Bonds2

About [(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate

[(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate (PubChem CID 44887465) has the molecular formula C10H13Cl3N2O4S and a molecular weight of 363.65 g/mol. Its IUPAC name is [(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate.

Molecular Properties

Compound Name[(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate
PubChem CID44887465
Molecular FormulaC10H13Cl3N2O4S
Molecular Weight363.65 g/mol
Exact Mass361.97
IUPAC Name[(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate
SMILESCN/C(=[NH+]\C)SCc1ccc(Cl)cc1Cl.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C10H12Cl2N2S.ClHO4/c1-13-10(14-2)15-6-7-3-4-8(11)5-9(7)12;2-1(3,4)5/h3-5H,6H2,1-2H3,(H,13,14);(H,2,3,4,5)
InChIKeyFBWZNOMOIWSAHV-UHFFFAOYSA-N
XLogP-3.24
TPSA118.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.65
LogP ≤ 5-3.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-1-[(chloroamino)sulfanylmethyl]benzene
CID 142470358
[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol
CID 113371994
(2,4-dichlorophenyl)methylsulfanyl phosphite
CID 18922904
(2,4-dichlorophenyl)methyl carbamimidothioate;hydrochloride
CID 12526767
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
3-[(2,4-dichlorophenyl)methylsulfanyl]-1-(methylamino)butan-2-ol
CID 20572988
2-aminoethyl (2,4-dichlorophenyl)methylsulfanylformate;hydrochloride
CID 162663453
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
dideuterio-(2,4-dichlorophenyl)methanol
CID 71751981
(2,4-dichlorophenyl)methylsulfanyl-(4-hydroxyphenyl)sulfanylmethanone
CID 177407153
2-[(2,4-dichlorophenyl)methylsulfanyl]-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119561173
2,4-dichloro-1-[6-[(2,4-dichlorophenyl)methylsulfanyl]hexylsulfanylmethyl]benzene
CID 5078531

Frequently Asked Questions

What is the IUPAC name of [(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate?
The IUPAC name of [(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate (CID 44887465) is [(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate.
What is the SMILES notation for [(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate?
The canonical SMILES for [(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate is CN/C(=[NH+]\C)SCc1ccc(Cl)cc1Cl.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate?
The InChIKey is FBWZNOMOIWSAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2S.ClHO4/c1-13-10(14-2)15-6-7-3-4-8(11)5-9(7)12;2-1(3,4)5/h3-5H,6H2,1-2H3,(H,13,14);(H,2,3,4,5).
What are the key properties of [(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate?
[(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate has a molecular weight of 363.65 g/mol, XLogP of -3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-dichlorophenyl)methylsulfanyl-(methylamino)methylidene]-methylazanium perchlorate is sourced from PubChem (CID 44887465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).