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

C9H10S — CID 88542838

IUPAC(2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene
SMILESC=C/C=c1/scc/c1=C/C
InChIInChI=1S/C9H10S/c1-3-5-9-8(4-2)6-7-10-9/h3-7H,1H2,2H3/b8-4-,9-5+
InChIKeyNWRCTDQSBYRIDF-MVTUOISNSA-N
MW150.25 g/mol
LogP1.51
Rot. Bonds1

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

(2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene (PubChem CID 88542838) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is (2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene.

Molecular Properties

Compound Name(2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene
PubChem CID88542838
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name(2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene
SMILESC=C/C=c1/scc/c1=C/C
InChIInChI=1S/C9H10S/c1-3-5-9-8(4-2)6-7-10-9/h3-7H,1H2,2H3/b8-4-,9-5+
InChIKeyNWRCTDQSBYRIDF-MVTUOISNSA-N
XLogP1.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene?
The IUPAC name of (2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene (CID 88542838) is (2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene.
What is the SMILES notation for (2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene?
The canonical SMILES for (2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene is C=C/C=c1/scc/c1=C/C.
What is the InChIKey of (2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene?
The InChIKey is NWRCTDQSBYRIDF-MVTUOISNSA-N. The full InChI is InChI=1S/C9H10S/c1-3-5-9-8(4-2)6-7-10-9/h3-7H,1H2,2H3/b8-4-,9-5+.
What are the key properties of (2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene?
(2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene has a molecular weight of 150.25 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-ethylidene-2-prop-2-enylidenethiophene is sourced from PubChem (CID 88542838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).