N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide

C9H12INOS — CID 5466974

IUPACN-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide
SMILESCS/C(c1ccccc1)=[N+](/C)[O-].I
InChIInChI=1S/C9H11NOS.HI/c1-10(11)9(12-2)8-6-4-3-5-7-8;/h3-7H,1-2H3;1H/b10-9-;
InChIKeyFXGDTQFBQPKEKR-KVVVOXFISA-N
MW309.17 g/mol
LogP2.55
Rot. Bonds1

About N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide

N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide (PubChem CID 5466974) has the molecular formula C9H12INOS and a molecular weight of 309.17 g/mol. Its IUPAC name is N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide.

Molecular Properties

Compound NameN-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide
PubChem CID5466974
Molecular FormulaC9H12INOS
Molecular Weight309.17 g/mol
Exact Mass308.97
IUPAC NameN-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide
SMILESCS/C(c1ccccc1)=[N+](/C)[O-].I
InChIInChI=1S/C9H11NOS.HI/c1-10(11)9(12-2)8-6-4-3-5-7-8;/h3-7H,1-2H3;1H/b10-9-;
InChIKeyFXGDTQFBQPKEKR-KVVVOXFISA-N
XLogP2.55
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide?
The IUPAC name of N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide (CID 5466974) is N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide.
What is the SMILES notation for N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide?
The canonical SMILES for N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide is CS/C(c1ccccc1)=[N+](/C)[O-].I.
What is the InChIKey of N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide?
The InChIKey is FXGDTQFBQPKEKR-KVVVOXFISA-N. The full InChI is InChI=1S/C9H11NOS.HI/c1-10(11)9(12-2)8-6-4-3-5-7-8;/h3-7H,1-2H3;1H/b10-9-;.
What are the key properties of N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide?
N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide has a molecular weight of 309.17 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide is sourced from PubChem (CID 5466974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).