N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine

C8H13NS2 — CID 144683266

IUPACN-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine
SMILESC=C/C(SC)=C(\N=C)SCC
InChIInChI=1S/C8H13NS2/c1-5-7(10-4)8(9-3)11-6-2/h5H,1,3,6H2,2,4H3/b8-7-
InChIKeySQXYXMRLIKHGLL-FPLPWBNLSA-N
MW187.33 g/mol
LogP3.16
Rot. Bonds5

About N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine

N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine (PubChem CID 144683266) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine
PubChem CID144683266
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC NameN-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine
SMILESC=C/C(SC)=C(\N=C)SCC
InChIInChI=1S/C8H13NS2/c1-5-7(10-4)8(9-3)11-6-2/h5H,1,3,6H2,2,4H3/b8-7-
InChIKeySQXYXMRLIKHGLL-FPLPWBNLSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(1E)-1-propylsulfanylbuta-1,3-dienyl]methanimine
CID 142191435
N-[(1E)-1-ethylsulfanylbuta-1,3-dienyl]methanimine
CID 143298497
N-[(1E)-1-(propyldisulfanyl)buta-1,3-dienyl]methanimine
CID 144283858
N-[(1E)-1-propan-2-ylsulfanylbuta-1,3-dienyl]methanimine
CID 144339549
ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine
CID 144683265
N-[(E)-1-[(Z)-but-2-en-2-yl]sulfanyl-2-methylsulfanylprop-1-enyl]methanimine
CID 155394934
ethane;N-[(1E)-1-ethylsulfanylbuta-1,3-dienyl]methanimine
CID 163301266
N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine
CID 143298418

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine (CID 144683266) is N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine is C=C/C(SC)=C(\N=C)SCC.
What is the InChIKey of N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine?
The InChIKey is SQXYXMRLIKHGLL-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H13NS2/c1-5-7(10-4)8(9-3)11-6-2/h5H,1,3,6H2,2,4H3/b8-7-.
What are the key properties of N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine?
N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine has a molecular weight of 187.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 144683266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).