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

C11H14S — CID 134533652

IUPAC(2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene
SMILESC=C/C=c1/sc(CC)c/c1=C/C
InChIInChI=1S/C11H14S/c1-4-7-11-9(5-2)8-10(6-3)12-11/h4-5,7-8H,1,6H2,2-3H3/b9-5-,11-7+
InChIKeyMEMBGXSEDYMSLT-KGAZIEBHSA-N
MW178.30 g/mol
LogP2.08
Rot. Bonds2

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

(2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene (PubChem CID 134533652) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene.

Molecular Properties

Compound Name(2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene
PubChem CID134533652
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name(2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene
SMILESC=C/C=c1/sc(CC)c/c1=C/C
InChIInChI=1S/C11H14S/c1-4-7-11-9(5-2)8-10(6-3)12-11/h4-5,7-8H,1,6H2,2-3H3/b9-5-,11-7+
InChIKeyMEMBGXSEDYMSLT-KGAZIEBHSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-Di-tert-butylthiepin
CID 145017
5-[2,3-Bis(tert-butylsulfanyl)cycloprop-2-en-1-ylidene]cyclopenta-1,3-diene
CID 13020089
Methylcyclopenta[b]thiophene
CID 21095561
Thiaazulene
CID 22111386
4-Ethylthiocyclopentadiene
CID 68403138
2-Ethylidene-3-methylidene-5-(2,2,2-trifluoroethyl)thiophene
CID 123823833
(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene
CID 145203819
(3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene
CID 163415117
Ethylfurfuryl sulfide
CID 528326
Lithium ethylsulfanylmethylbenzene
CID 14939640
2,7-Diisopropylthiepin
CID 129654671
2,4-Dimethyl-3-methylsulfanylpenta-1,3-diene
CID 134975252

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene?
The IUPAC name of (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene (CID 134533652) is (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene.
What is the SMILES notation for (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene?
The canonical SMILES for (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene is C=C/C=c1/sc(CC)c/c1=C/C.
What is the InChIKey of (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene?
The InChIKey is MEMBGXSEDYMSLT-KGAZIEBHSA-N. The full InChI is InChI=1S/C11H14S/c1-4-7-11-9(5-2)8-10(6-3)12-11/h4-5,7-8H,1,6H2,2-3H3/b9-5-,11-7+.
What are the key properties of (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene?
(2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene has a molecular weight of 178.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-5-ethyl-3-ethylidene-2-prop-2-enylidenethiophene is sourced from PubChem (CID 134533652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).