(2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene

C12H14S — CID 142937348

IUPAC(2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene
SMILESC=C/C=c1/cc(C)s/c1=C/C=C\C
InChIInChI=1S/C12H14S/c1-4-6-8-12-11(7-5-2)9-10(3)13-12/h4-9H,2H2,1,3H3/b6-4-,11-7-,12-8+
InChIKeyLOLNYUJDIZPTAE-QWVCTFSISA-N
MW190.31 g/mol
LogP2.38
Rot. Bonds2

About (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene

(2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene (PubChem CID 142937348) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene.

Molecular Properties

Compound Name(2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene
PubChem CID142937348
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name(2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene
SMILESC=C/C=c1/cc(C)s/c1=C/C=C\C
InChIInChI=1S/C12H14S/c1-4-6-8-12-11(7-5-2)9-10(3)13-12/h4-9H,2H2,1,3H3/b6-4-,11-7-,12-8+
InChIKeyLOLNYUJDIZPTAE-QWVCTFSISA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-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)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene?
The IUPAC name of (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene (CID 142937348) is (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene.
What is the SMILES notation for (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene?
The canonical SMILES for (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene is C=C/C=c1/cc(C)s/c1=C/C=C\C.
What is the InChIKey of (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene?
The InChIKey is LOLNYUJDIZPTAE-QWVCTFSISA-N. The full InChI is InChI=1S/C12H14S/c1-4-6-8-12-11(7-5-2)9-10(3)13-12/h4-9H,2H2,1,3H3/b6-4-,11-7-,12-8+.
What are the key properties of (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene?
(2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene has a molecular weight of 190.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-3-prop-2-enylidenethiophene is sourced from PubChem (CID 142937348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).