(2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine

C9H11NS — CID 122488047

IUPAC(2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine
SMILES[H]/N=C/C=c1/cc(C)s/c1=C/C
InChIInChI=1S/C9H11NS/c1-3-9-8(4-5-10)6-7(2)11-9/h3-6,10H,1-2H3/b8-4-,9-3+,10-5+
InChIKeyOFFFYNHASOJHKY-CDWQOTJSSA-N
MW165.26 g/mol
LogP1.29
Rot. Bonds1

About (2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine

(2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine (PubChem CID 122488047) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is (2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine.

Molecular Properties

Compound Name(2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine
PubChem CID122488047
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name(2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine
SMILES[H]/N=C/C=c1/cc(C)s/c1=C/C
InChIInChI=1S/C9H11NS/c1-3-9-8(4-5-10)6-7(2)11-9/h3-6,10H,1-2H3/b8-4-,9-3+,10-5+
InChIKeyOFFFYNHASOJHKY-CDWQOTJSSA-N
XLogP1.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine?
The IUPAC name of (2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine (CID 122488047) is (2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine.
What is the SMILES notation for (2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine?
The canonical SMILES for (2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine is [H]/N=C/C=c1/cc(C)s/c1=C/C.
What is the InChIKey of (2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine?
The InChIKey is OFFFYNHASOJHKY-CDWQOTJSSA-N. The full InChI is InChI=1S/C9H11NS/c1-3-9-8(4-5-10)6-7(2)11-9/h3-6,10H,1-2H3/b8-4-,9-3+,10-5+.
What are the key properties of (2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine?
(2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine has a molecular weight of 165.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2E)-2-ethylidene-5-methylthiophen-3-ylidene]ethanimine is sourced from PubChem (CID 122488047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).