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

C7H11NS — CID 142557503

IUPACN-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)SC
InChIInChI=1S/C7H11NS/c1-4-5-6-7(8-2)9-3/h4-6H,2H2,1,3H3/b5-4-,7-6+
InChIKeyDMNGGMDYWIQLMO-SCFJQAPRSA-N
MW141.24 g/mol
LogP2.47
Rot. Bonds3

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

N-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]methanimine (PubChem CID 142557503) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is N-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]methanimine
PubChem CID142557503
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC NameN-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]methanimine
SMILESC=N/C(=C\C=C/C)SC
InChIInChI=1S/C7H11NS/c1-4-5-6-7(8-2)9-3/h4-6H,2H2,1,3H3/b5-4-,7-6+
InChIKeyDMNGGMDYWIQLMO-SCFJQAPRSA-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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Related Compounds

N-(1-methylsulfanylprop-1-enyl)methanimine
CID 124017468
N-[(1E,3Z)-1-(propyldisulfanyl)penta-1,3-dienyl]methanimine
CID 126761402
N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]methanimine
CID 129046785
(1E,3Z)-1-(methylideneamino)penta-1,3-diene-1-thiol
CID 131978521
N-[(1E)-1-methylsulfanylbuta-1,3-dienyl]methanimine
CID 141862337
(3Z)-3-methylhexa-1,3,5-triene;N-[(1E)-1-methylsulfanylbuta-1,3-dienyl]methanimine
CID 143164245
N-[(1E)-1-ethylsulfanylbuta-1,3-dienyl]methanimine
CID 143298497
N-[(1E,3Z)-1-(methyldisulfanyl)penta-1,3-dienyl]methanimine
CID 143653337
N-[(1E)-1-propan-2-ylsulfanylbuta-1,3-dienyl]methanimine
CID 144339549
N-[(1E)-1-(methyldisulfanyl)buta-1,3-dienyl]methanimine
CID 144351844
N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]methanimine
CID 167156813
methyl N-[(2E)-penta-2,4-dien-2-yl]methanimidothioate
CID 169564704

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]methanimine (CID 142557503) is N-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]methanimine is C=N/C(=C\C=C/C)SC.
What is the InChIKey of N-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]methanimine?
The InChIKey is DMNGGMDYWIQLMO-SCFJQAPRSA-N. The full InChI is InChI=1S/C7H11NS/c1-4-5-6-7(8-2)9-3/h4-6H,2H2,1,3H3/b5-4-,7-6+.
What are the key properties of N-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]methanimine?
N-[(1E,3Z)-1-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-[(1E,3Z)-1-methylsulfanylpenta-1,3-dienyl]methanimine is sourced from PubChem (CID 142557503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).