(2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene

C10H12S — CID 90291858

IUPAC(2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene
SMILESC=C/C=c1/cc(C)s/c1=C/C
InChIInChI=1S/C10H12S/c1-4-6-9-7-8(3)11-10(9)5-2/h4-7H,1H2,2-3H3/b9-6-,10-5+
InChIKeyFDVBNZPDMVNULJ-SCWCTGRGSA-N
MW164.27 g/mol
LogP1.82
Rot. Bonds1

About (2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene

(2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene (PubChem CID 90291858) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene.

Molecular Properties

Compound Name(2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene
PubChem CID90291858
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name(2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene
SMILESC=C/C=c1/cc(C)s/c1=C/C
InChIInChI=1S/C10H12S/c1-4-6-9-7-8(3)11-10(9)5-2/h4-7H,1H2,2-3H3/b9-6-,10-5+
InChIKeyFDVBNZPDMVNULJ-SCWCTGRGSA-N
XLogP1.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene?
The IUPAC name of (2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene (CID 90291858) is (2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene.
What is the SMILES notation for (2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene?
The canonical SMILES for (2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene is C=C/C=c1/cc(C)s/c1=C/C.
What is the InChIKey of (2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene?
The InChIKey is FDVBNZPDMVNULJ-SCWCTGRGSA-N. The full InChI is InChI=1S/C10H12S/c1-4-6-9-7-8(3)11-10(9)5-2/h4-7H,1H2,2-3H3/b9-6-,10-5+.
What are the key properties of (2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene?
(2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene has a molecular weight of 164.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-ethylidene-5-methyl-3-prop-2-enylidenethiophene is sourced from PubChem (CID 90291858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).