N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine

C7H11NS2 — CID 143653337

IUPACN-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)SSC
InChIInChI=1S/C7H11NS2/c1-4-5-6-7(8-2)10-9-3/h4-6H,2H2,1,3H3/b5-4-,7-6+
InChIKeyPFUQMFQMSAIARN-SCFJQAPRSA-N
MW173.31 g/mol
LogP3.12
Rot. Bonds4

About N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine

N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine (PubChem CID 143653337) has the molecular formula C7H11NS2 and a molecular weight of 173.31 g/mol. Its IUPAC name is N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine
PubChem CID143653337
Molecular FormulaC7H11NS2
Molecular Weight173.31 g/mol
Exact Mass173.03
IUPAC NameN-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)SSC
InChIInChI=1S/C7H11NS2/c1-4-5-6-7(8-2)10-9-3/h4-6H,2H2,1,3H3/b5-4-,7-6+
InChIKeyPFUQMFQMSAIARN-SCFJQAPRSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine (CID 143653337) is N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine is C=N/C(=C\C=C/C)SSC.
What is the InChIKey of N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine?
The InChIKey is PFUQMFQMSAIARN-SCFJQAPRSA-N. The full InChI is InChI=1S/C7H11NS2/c1-4-5-6-7(8-2)10-9-3/h4-6H,2H2,1,3H3/b5-4-,7-6+.
What are the key properties of N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine?
N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine has a molecular weight of 173.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 143653337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).