N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine

C8H9NS — CID 143899913

IUPACN-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine
SMILESC=c1scc/c1=C/N=C/C
InChIInChI=1S/C8H9NS/c1-3-9-6-8-4-5-10-7(8)2/h3-6H,2H2,1H3/b8-6-,9-3+
InChIKeyCHPYUDCGHBSMIM-FTYJLKAESA-N
MW151.23 g/mol
LogP0.99
Rot. Bonds1

About N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine

N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine (PubChem CID 143899913) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine
PubChem CID143899913
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC NameN-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine
SMILESC=c1scc/c1=C/N=C/C
InChIInChI=1S/C8H9NS/c1-3-9-6-8-4-5-10-7(8)2/h3-6H,2H2,1H3/b8-6-,9-3+
InChIKeyCHPYUDCGHBSMIM-FTYJLKAESA-N
XLogP0.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Propan-2-yl-1,4-thiazepine
CID 19766156
2-Propyl-1,4-thiazepine
CID 19766158
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
N-[(1E)-3-methyl-2-prop-1-en-2-ylsulfanylbuta-1,3-dienyl]ethanimine
CID 123915297
(2Z)-N-methyl-2-(2-methylidenethiophen-3-ylidene)ethanimine
CID 139297349
N-[(1Z,3E)-3-(methylsulfanylmethyl)penta-1,3-dienyl]methanimine
CID 142226066
N-[(1Z,3E)-3-methyl-2-methylsulfanylpenta-1,3-dienyl]ethanimine;prop-1-ene
CID 142809559
6-[(1Z)-2-methylbuta-1,3-dienyl]-2H-1,4-thiazine
CID 143838546
N-[(Z)-2-ethenylsulfanyl-3-methylbut-1-enyl]ethanimine
CID 146493360
methyl N-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidothioate
CID 147976212
6aH-thieno[2,3-c]pyrrole
CID 168750583
N-[(Z)-chloro-(3-methylidenethiophen-2-ylidene)methyl]ethanimine
CID 173470875

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine?
The IUPAC name of N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine (CID 143899913) is N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine.
What is the SMILES notation for N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine?
The canonical SMILES for N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine is C=c1scc/c1=C/N=C/C.
What is the InChIKey of N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine?
The InChIKey is CHPYUDCGHBSMIM-FTYJLKAESA-N. The full InChI is InChI=1S/C8H9NS/c1-3-9-6-8-4-5-10-7(8)2/h3-6H,2H2,1H3/b8-6-,9-3+.
What are the key properties of N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine?
N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine has a molecular weight of 151.23 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methylidenethiophen-3-ylidene)methyl]ethanimine is sourced from PubChem (CID 143899913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).