(2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene

C11H12S — CID 142453176

IUPAC(2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene
SMILESC=Cc1cc(=C)/c(=C\C=C/C)s1
InChIInChI=1S/C11H12S/c1-4-6-7-11-9(3)8-10(5-2)12-11/h4-8H,2-3H2,1H3/b6-4-,11-7+
InChIKeyLMEXLPLTUFQEIC-WXVRQDIQSA-N
MW176.28 g/mol
LogP2.16
Rot. Bonds2

About (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene

(2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene (PubChem CID 142453176) has the molecular formula C11H12S and a molecular weight of 176.28 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene
PubChem CID142453176
Molecular FormulaC11H12S
Molecular Weight176.28 g/mol
Exact Mass176.07
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene
SMILESC=Cc1cc(=C)/c(=C\C=C/C)s1
InChIInChI=1S/C11H12S/c1-4-6-7-11-9(3)8-10(5-2)12-11/h4-8H,2-3H2,1H3/b6-4-,11-7+
InChIKeyLMEXLPLTUFQEIC-WXVRQDIQSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene (CID 142453176) is (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene is C=Cc1cc(=C)/c(=C\C=C/C)s1.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene?
The InChIKey is LMEXLPLTUFQEIC-WXVRQDIQSA-N. The full InChI is InChI=1S/C11H12S/c1-4-6-7-11-9(3)8-10(5-2)12-11/h4-8H,2-3H2,1H3/b6-4-,11-7+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene?
(2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene has a molecular weight of 176.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-5-ethenyl-3-methylidenethiophene is sourced from PubChem (CID 142453176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).