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

C8H13NS — CID 142185311

IUPACN-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C=C(/C)SC
InChIInChI=1S/C8H13NS/c1-4-9-7-5-6-8(2)10-3/h4-7H,1-3H3/b7-5-,8-6+,9-4+
InChIKeyLJWNWUBVRYUWJR-JOVNBEPESA-N
MW155.27 g/mol
LogP2.86
Rot. Bonds3

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

N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine (PubChem CID 142185311) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine
PubChem CID142185311
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine
SMILESC/C=N/C=C\C=C(/C)SC
InChIInChI=1S/C8H13NS/c1-4-9-7-5-6-8(2)10-3/h4-7H,1-3H3/b7-5-,8-6+,9-4+
InChIKeyLJWNWUBVRYUWJR-JOVNBEPESA-N
XLogP2.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.86
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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Launch Full Analysis

Related Compounds

(E)-N-[(1E)-4-methyl-1-methylsulfanylpenta-1,3-dienyl]ethanimine
CID 134892025
2H-1,6-thiazecine
CID 70543927
2-[(1Z,3Z)-penta-1,3-dienyl]iminoethanethiol
CID 89172257
(2E,4Z)-N-methyl-3-methylsulfanylhexa-2,4-dien-1-imine
CID 90143961
methyl (4Z)-5-(ethylideneamino)-3-methylpenta-2,4-dienedithioate
CID 90687127
4-Methylsulfanyl-1-azacyclohepta-2,4,6,7-tetraene
CID 102099822
N-(2-prop-1-enylsulfanylethenyl)ethanimine
CID 123338893
penta-2,4-dien-2-yl N-ethenylethanimidothioate
CID 124022967
(E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine
CID 126524045
[(2E)-1-ethenyliminopenta-2,4-dien-2-yl] thiocyanate
CID 126711121
N-[(Z)-prop-1-enyl]thiopyran-2-imine
CID 132196720
N-[(1Z)-3-methylsulfanylbuta-1,3-dienyl]methanimine
CID 134443530

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine (CID 142185311) is N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine is C/C=N/C=C\C=C(/C)SC.
What is the InChIKey of N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine?
The InChIKey is LJWNWUBVRYUWJR-JOVNBEPESA-N. The full InChI is InChI=1S/C8H13NS/c1-4-9-7-5-6-8(2)10-3/h4-7H,1-3H3/b7-5-,8-6+,9-4+.
What are the key properties of N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine?
N-[(1Z,3E)-4-methylsulfanylpenta-1,3-dienyl]ethanimine has a molecular weight of 155.27 g/mol, XLogP of 2.86, 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]ethanimine is sourced from PubChem (CID 142185311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).