(2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene

C11H14S — CID 134186968

IUPAC(2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene
SMILESC/C=c1/cc(C)s/c1=C/C=C/C
InChIInChI=1S/C11H14S/c1-4-6-7-11-10(5-2)8-9(3)12-11/h4-8H,1-3H3/b6-4+,10-5-,11-7+
InChIKeyHIDJMHAGCYQQQQ-AHKRURNVSA-N
MW178.30 g/mol
LogP2.21
Rot. Bonds1

About (2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene

(2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene (PubChem CID 134186968) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is (2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene.

Molecular Properties

Compound Name(2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene
PubChem CID134186968
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name(2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene
SMILESC/C=c1/cc(C)s/c1=C/C=C/C
InChIInChI=1S/C11H14S/c1-4-6-7-11-10(5-2)8-9(3)12-11/h4-8H,1-3H3/b6-4+,10-5-,11-7+
InChIKeyHIDJMHAGCYQQQQ-AHKRURNVSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene?
The IUPAC name of (2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene (CID 134186968) is (2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene.
What is the SMILES notation for (2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene?
The canonical SMILES for (2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene is C/C=c1/cc(C)s/c1=C/C=C/C.
What is the InChIKey of (2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene?
The InChIKey is HIDJMHAGCYQQQQ-AHKRURNVSA-N. The full InChI is InChI=1S/C11H14S/c1-4-6-7-11-10(5-2)8-9(3)12-11/h4-8H,1-3H3/b6-4+,10-5-,11-7+.
What are the key properties of (2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene?
(2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene has a molecular weight of 178.30 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-[(E)-but-2-enylidene]-3-ethylidene-5-methylthiophene is sourced from PubChem (CID 134186968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).