N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine

C7H11NS — CID 167156813

IUPACN-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C(/C)SC
InChIInChI=1S/C7H11NS/c1-7(9-3)5-4-6-8-2/h4-6H,2H2,1,3H3/b6-4-,7-5+
InChIKeySGRMWLJJWMMNQZ-XGXWUAJZSA-N
MW141.24 g/mol
LogP2.47
Rot. Bonds3

About N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine

N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine (PubChem CID 167156813) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine
PubChem CID167156813
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC NameN-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C(/C)SC
InChIInChI=1S/C7H11NS/c1-7(9-3)5-4-6-8-2/h4-6H,2H2,1,3H3/b6-4-,7-5+
InChIKeySGRMWLJJWMMNQZ-XGXWUAJZSA-N
XLogP2.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine (CID 167156813) is N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine is C=N/C=C\C=C(/C)SC.
What is the InChIKey of N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine?
The InChIKey is SGRMWLJJWMMNQZ-XGXWUAJZSA-N. The full InChI is InChI=1S/C7H11NS/c1-7(9-3)5-4-6-8-2/h4-6H,2H2,1,3H3/b6-4-,7-5+.
What are the key properties of N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine?
N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine has a molecular weight of 141.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 167156813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).