(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene

C12H16S — CID 155216921

IUPAC(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene
SMILESC/C=C\C=c1\c(C)c(C)s\c1=C\C
InChIInChI=1S/C12H16S/c1-5-7-8-11-9(3)10(4)13-12(11)6-2/h5-8H,1-4H3/b7-5-,11-8-,12-6+
InChIKeyKNIJSSOQYAGVMN-MZABRYKLSA-N
MW192.33 g/mol
LogP2.52
Rot. Bonds1

About (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene

(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene (PubChem CID 155216921) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene.

Molecular Properties

Compound Name(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene
PubChem CID155216921
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene
SMILESC/C=C\C=c1\c(C)c(C)s\c1=C\C
InChIInChI=1S/C12H16S/c1-5-7-8-11-9(3)10(4)13-12(11)6-2/h5-8H,1-4H3/b7-5-,11-8-,12-6+
InChIKeyKNIJSSOQYAGVMN-MZABRYKLSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 52.52
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
(2E)-2-[(4E)-5,6-difluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-[(E)-prop-1-enyl]thiophene
CID 145203814
(2E)-2-[(4Z)-6-fluoro-2,3-dimethylidenehepta-4,6-dienylidene]-3-methylidene-5-propylthiophene
CID 145203819
(2Z)-3-methylidene-5-propyl-2-[(4E)-1,5,6-trifluoro-2,3-dimethylidenehepta-4,6-dienylidene]thiophene
CID 145203831
(2Z,4E)-5-buta-1,3-dien-2-ylsulfanyl-7-fluoro-7-methyl-6-methylideneocta-2,4-diene
CID 156057037
Ethylfurfuryl sulfide
CID 528326
2,7-Diisopropylthiepin
CID 129654671
2-(Ethylthio)-6,10-dimethyl-1,3,5,9-undecatetraene
CID 129804243
2,7-Di-tert-butylthiepin, 4-methyl-
CID 145031
1-(1-Tert-butylsulfanylethyl)-4-fluorobenzene-6-ide
CID 101857950
Butyl furfuryl sulfide
CID 528325

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene?
The IUPAC name of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene (CID 155216921) is (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene.
What is the SMILES notation for (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene?
The canonical SMILES for (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene is C/C=C\C=c1\c(C)c(C)s\c1=C\C.
What is the InChIKey of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene?
The InChIKey is KNIJSSOQYAGVMN-MZABRYKLSA-N. The full InChI is InChI=1S/C12H16S/c1-5-7-8-11-9(3)10(4)13-12(11)6-2/h5-8H,1-4H3/b7-5-,11-8-,12-6+.
What are the key properties of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene?
(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene has a molecular weight of 192.33 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-4,5-dimethylthiophene is sourced from PubChem (CID 155216921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).