(Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide

C11H17IN2S — CID 134874702

IUPAC(Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide
SMILESCS/C(c1ccccc1)=[N+](/C)N(C)C.[I-]
InChIInChI=1S/C11H17N2S.HI/c1-12(2)13(3)11(14-4)10-8-6-5-7-9-10;/h5-9H,1-4H3;1H/q+1;/p-1/b13-11-;
InChIKeyKGNLPORCSKQVGK-KEHAOADBSA-M
MW336.24 g/mol
LogP-1.08
Rot. Bonds2

About (Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide

(Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide (PubChem CID 134874702) has the molecular formula C11H17IN2S and a molecular weight of 336.24 g/mol. Its IUPAC name is (Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide.

Molecular Properties

Compound Name(Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide
PubChem CID134874702
Molecular FormulaC11H17IN2S
Molecular Weight336.24 g/mol
Exact Mass336.02
IUPAC Name(Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide
SMILESCS/C(c1ccccc1)=[N+](/C)N(C)C.[I-]
InChIInChI=1S/C11H17N2S.HI/c1-12(2)13(3)11(14-4)10-8-6-5-7-9-10;/h5-9H,1-4H3;1H/q+1;/p-1/b13-11-;
InChIKeyKGNLPORCSKQVGK-KEHAOADBSA-M
XLogP-1.08
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-hydroxy-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide
CID 134893006
(E)-[ethylsulfanyl(phenyl)methylidene]-hydroxy-methylazanium iodide
CID 134988460
ethane;methyl benzenecarbodithioate
CID 144606812
(E)-2-methylsulfanyl-1,2-diphenylethenethiol
CID 3004109
dimethyl-[phenacylsulfanyl(phenyl)methylidene]azanium
CID 15311920
[bromo(phenyl)methylidene]-dimethylazanium
CID 576371
[(E)-3-(dimethylamino)-2-phenylprop-2-enylidene]-dimethylazanium perchlorate
CID 10859627
2-methyl-2-methylsulfanyl-1-phenylpropan-1-one
CID 19001344
N,N-dimethyl-1-phenylbut-1-en-1-amine
CID 154209474
[[dimethylamino(phenyl)methylidene]phosphanyl-phenylmethylidene]-dimethylazanium
CID 134867852
[(Z)-1-(dimethylamino)-3-phenyl-3-phenylsulfanylprop-2-enylidene]-dimethylazanium
CID 102417247
(2-azaniumyl-1,2-diphenylethenyl)azanium
CID 5108599

Frequently Asked Questions

What is the IUPAC name of (Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide?
The IUPAC name of (Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide (CID 134874702) is (Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide.
What is the SMILES notation for (Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide?
The canonical SMILES for (Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide is CS/C(c1ccccc1)=[N+](/C)N(C)C.[I-].
What is the InChIKey of (Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide?
The InChIKey is KGNLPORCSKQVGK-KEHAOADBSA-M. The full InChI is InChI=1S/C11H17N2S.HI/c1-12(2)13(3)11(14-4)10-8-6-5-7-9-10;/h5-9H,1-4H3;1H/q+1;/p-1/b13-11-;.
What are the key properties of (Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide?
(Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide has a molecular weight of 336.24 g/mol, XLogP of -1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-dimethylamino-methyl-[methylsulfanyl(phenyl)methylidene]azanium iodide is sourced from PubChem (CID 134874702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).