ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine

C10H19NS — CID 143298417

IUPACethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine
SMILESC=C/C(C)=C(\N=C)SCC.CC
InChIInChI=1S/C8H13NS.C2H6/c1-5-7(3)8(9-4)10-6-2;1-2/h5H,1,4,6H2,2-3H3;1-2H3/b8-7+;
InChIKeyNOARTNXYCZRYKT-USRGLUTNSA-N
MW185.34 g/mol
LogP3.88
Rot. Bonds4

About ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine

ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine (PubChem CID 143298417) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine
PubChem CID143298417
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Nameethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine
SMILESC=C/C(C)=C(\N=C)SCC.CC
InChIInChI=1S/C8H13NS.C2H6/c1-5-7(3)8(9-4)10-6-2;1-2/h5H,1,4,6H2,2-3H3;1-2H3/b8-7+;
InChIKeyNOARTNXYCZRYKT-USRGLUTNSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.88
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

ethane;(Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
CID 142821592
(3Z)-3-methylhexa-1,3,5-triene;N-[(1E)-1-methylsulfanylbuta-1,3-dienyl]methanimine
CID 143164245
ethane;(1E)-1-(methylideneamino)-2-(methylsulfanylmethyl)buta-1,3-dien-1-amine
CID 143501916
ethane;N-[(1Z)-1-ethylsulfanyl-2-methylsulfanylbuta-1,3-dienyl]methanimine
CID 144683265
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 ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine?
The IUPAC name of ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine (CID 143298417) is ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine?
The canonical SMILES for ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine is C=C/C(C)=C(\N=C)SCC.CC.
What is the InChIKey of ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine?
The InChIKey is NOARTNXYCZRYKT-USRGLUTNSA-N. The full InChI is InChI=1S/C8H13NS.C2H6/c1-5-7(3)8(9-4)10-6-2;1-2/h5H,1,4,6H2,2-3H3;1-2H3/b8-7+;.
What are the key properties of ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine?
ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine has a molecular weight of 185.34 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 143298417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).