amino-methyl-(1-methylsulfanylethylidene)azanium iodide

C4H11IN2S — CID 71325868

IUPACamino-methyl-(1-methylsulfanylethylidene)azanium iodide
SMILESCSC(C)=[N+](C)N.[I-]
InChIInChI=1S/C4H11N2S.HI/c1-4(7-3)6(2)5;/h5H2,1-3H3;1H/q+1;/p-1
InChIKeyLFVFDAZHWNPJFF-UHFFFAOYSA-M
MW246.12 g/mol
LogP-2.71
Rot. Bonds

About amino-methyl-(1-methylsulfanylethylidene)azanium iodide

amino-methyl-(1-methylsulfanylethylidene)azanium iodide (PubChem CID 71325868) has the molecular formula C4H11IN2S and a molecular weight of 246.12 g/mol. Its IUPAC name is amino-methyl-(1-methylsulfanylethylidene)azanium iodide.

Molecular Properties

Compound Nameamino-methyl-(1-methylsulfanylethylidene)azanium iodide
PubChem CID71325868
Molecular FormulaC4H11IN2S
Molecular Weight246.12 g/mol
Exact Mass245.97
IUPAC Nameamino-methyl-(1-methylsulfanylethylidene)azanium iodide
SMILESCSC(C)=[N+](C)N.[I-]
InChIInChI=1S/C4H11N2S.HI/c1-4(7-3)6(2)5;/h5H2,1-3H3;1H/q+1;/p-1
InChIKeyLFVFDAZHWNPJFF-UHFFFAOYSA-M
XLogP-2.71
TPSA29.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 5-2.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino-methyl-(1-methylsulfanylethylidene)azanium iodide?
The IUPAC name of amino-methyl-(1-methylsulfanylethylidene)azanium iodide (CID 71325868) is amino-methyl-(1-methylsulfanylethylidene)azanium iodide.
What is the SMILES notation for amino-methyl-(1-methylsulfanylethylidene)azanium iodide?
The canonical SMILES for amino-methyl-(1-methylsulfanylethylidene)azanium iodide is CSC(C)=[N+](C)N.[I-].
What is the InChIKey of amino-methyl-(1-methylsulfanylethylidene)azanium iodide?
The InChIKey is LFVFDAZHWNPJFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11N2S.HI/c1-4(7-3)6(2)5;/h5H2,1-3H3;1H/q+1;/p-1.
What are the key properties of amino-methyl-(1-methylsulfanylethylidene)azanium iodide?
amino-methyl-(1-methylsulfanylethylidene)azanium iodide has a molecular weight of 246.12 g/mol, XLogP of -2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino-methyl-(1-methylsulfanylethylidene)azanium iodide is sourced from PubChem (CID 71325868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).