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

C8H13NS — CID 142226066

IUPACN-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/C)CSC
InChIInChI=1S/C8H13NS/c1-4-8(7-10-3)5-6-9-2/h4-6H,2,7H2,1,3H3/b6-5-,8-4+
InChIKeyZMAAIIMNBUYWAA-QNMAEOQASA-N
MW155.27 g/mol
LogP2.51
Rot. Bonds4

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

N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine (PubChem CID 142226066) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine
PubChem CID142226066
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC NameN-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine
SMILESC=N/C=C\C(=C/C)CSC
InChIInChI=1S/C8H13NS/c1-4-8(7-10-3)5-6-9-2/h4-6H,2,7H2,1,3H3/b6-5-,8-4+
InChIKeyZMAAIIMNBUYWAA-QNMAEOQASA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.51
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

methyl (4Z)-5-(ethylideneamino)-3-methylpenta-2,4-dienedithioate
CID 90687127
3-[2-(Methylideneamino)ethenyl]pent-3-ene-2-thiol
CID 123358301
N-[(E)-2-[(1E,3Z)-2-methylpenta-1,3-dienyl]sulfanylethenyl]methanimine
CID 132196708
N-[(1Z,3E)-3-(2-methylpropylsulfanyl)penta-1,3-dienyl]methanimine
CID 137394707
ethane;N-[(1Z,3E)-3-methyl-2-methylsulfanylhexa-1,3,5-trienyl]methanimine
CID 142616343
N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine;prop-1-ene
CID 142809559
(Z)-2-[(3E,5Z)-3-methyl-6-(methylideneamino)hexa-1,3,5-trien-2-yl]sulfanylbut-2-ene-1-thiol
CID 143076305
6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine
CID 143838546
N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine
CID 143899913
N-[(Z)-2-(3-methyl-2-methylidenebutyl)sulfanylethenyl]methanimine
CID 155449802
(3Z)-N-ethenyl-3-ethylidenethiophen-2-imine
CID 166817990
N-[(Z)-2-[(2E,4Z)-4-ethenyl-6-methylidenenona-2,4-dienyl]sulfanylethenyl]methanimine
CID 166922295

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine (CID 142226066) is N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine is C=N/C=C\C(=C/C)CSC.
What is the InChIKey of N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine?
The InChIKey is ZMAAIIMNBUYWAA-QNMAEOQASA-N. The full InChI is InChI=1S/C8H13NS/c1-4-8(7-10-3)5-6-9-2/h4-6H,2,7H2,1,3H3/b6-5-,8-4+.
What are the key properties of N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine?
N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine has a molecular weight of 155.27 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine is sourced from PubChem (CID 142226066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).