(Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine

C8H13NS — CID 142821593

IUPAC(Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
SMILESC=C/C(C)=C(\N=C/C)SC
InChIInChI=1S/C8H13NS/c1-5-7(3)8(10-4)9-6-2/h5-6H,1H2,2-4H3/b8-7+,9-6-
InChIKeyBNCPJFZKLHVPHX-NEVGTANLSA-N
MW155.27 g/mol
LogP2.86
Rot. Bonds3

About (Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine

(Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine (PubChem CID 142821593) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is (Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
PubChem CID142821593
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name(Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
SMILESC=C/C(C)=C(\N=C/C)SC
InChIInChI=1S/C8H13NS/c1-5-7(3)8(10-4)9-6-2/h5-6H,1H2,2-4H3/b8-7+,9-6-
InChIKeyBNCPJFZKLHVPHX-NEVGTANLSA-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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Related Compounds

N-ethylidene-2-methyl-1-methylsulfanyl-1,3-butadien-1-amine
CID 85711847
ethane;(Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
CID 142821592
ethane;(Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
CID 142896328
(2Z)-3-methyl-N-(methylsulfanylmethyl)penta-2,4-dien-1-imine
CID 173494039
N-[(E)-3-methyl-1-methylsulfanylbut-1-enyl]prop-2-en-1-imine
CID 173817143
(Z)-N-[(1E)-2-ethyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine
CID 142896329
N-[(1E)-1-ethylsulfanyl-2-methylbuta-1,3-dienyl]methanimine
CID 143298418

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine?
The IUPAC name of (Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine (CID 142821593) is (Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for (Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for (Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine is C=C/C(C)=C(\N=C/C)SC.
What is the InChIKey of (Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine?
The InChIKey is BNCPJFZKLHVPHX-NEVGTANLSA-N. The full InChI is InChI=1S/C8H13NS/c1-5-7(3)8(10-4)9-6-2/h5-6H,1H2,2-4H3/b8-7+,9-6-.
What are the key properties of (Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine?
(Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-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 (Z)-N-[(1E)-2-methyl-1-methylsulfanylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 142821593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).