(3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene

C10H12S — CID 88581324

IUPAC(3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene
SMILESC=C/C(C)=C\C=C1\C=CSC1
InChIInChI=1S/C10H12S/c1-3-9(2)4-5-10-6-7-11-8-10/h3-7H,1,8H2,2H3/b9-4-,10-5-
InChIKeyGSCZMQCALVOQMA-AVWDGMTFSA-N
MW164.27 g/mol
LogP3.31
Rot. Bonds2

About (3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene

(3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene (PubChem CID 88581324) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is (3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene.

Molecular Properties

Compound Name(3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene
PubChem CID88581324
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name(3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene
SMILESC=C/C(C)=C\C=C1\C=CSC1
InChIInChI=1S/C10H12S/c1-3-9(2)4-5-10-6-7-11-8-10/h3-7H,1,8H2,2H3/b9-4-,10-5-
InChIKeyGSCZMQCALVOQMA-AVWDGMTFSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-butylsulfanyl-3-methylbuta-1,3-diene
CID 13115306
4-methyl-2H-thiopyran
CID 18974596
Methylcyclopenta[b]thiophene
CID 21095561
Dimethylthiolethione
CID 129775505
2-Ethyl-1-methylthiophen-1-ium
CID 138976345
4-Fluoro-3-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 123406958
(3E)-4-fluoro-3-methyl-2-methylsulfanylhexa-1,3,5-triene
CID 144403115
(E)-1-fluoro-2-methyl-1-[(2E)-penta-2,4-dienyl]sulfanylbut-1-ene
CID 162749753
(3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene
CID 163415117
Ethylfurfuryl sulfide
CID 528326
Vyfznrobjzgodz-uhfffaoysa-
CID 15026669
6,6-Diethylthiofulvene
CID 14225165

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene?
The IUPAC name of (3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene (CID 88581324) is (3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene.
What is the SMILES notation for (3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene?
The canonical SMILES for (3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene is C=C/C(C)=C\C=C1\C=CSC1.
What is the InChIKey of (3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene?
The InChIKey is GSCZMQCALVOQMA-AVWDGMTFSA-N. The full InChI is InChI=1S/C10H12S/c1-3-9(2)4-5-10-6-7-11-8-10/h3-7H,1,8H2,2H3/b9-4-,10-5-.
What are the key properties of (3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene?
(3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene has a molecular weight of 164.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2Z)-3-methylpenta-2,4-dienylidene]thiophene is sourced from PubChem (CID 88581324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).