4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene

C9H12S — CID 142091964

IUPAC4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene
SMILESC=CC1=C(C=C)C(C)CS1
InChIInChI=1S/C9H12S/c1-4-8-7(3)6-10-9(8)5-2/h4-5,7H,1-2,6H2,3H3
InChIKeyYZOOUNJTMZLWGE-UHFFFAOYSA-N
MW152.26 g/mol
LogP3.00
Rot. Bonds2

About 4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene

4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene (PubChem CID 142091964) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene
PubChem CID142091964
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene
SMILESC=CC1=C(C=C)C(C)CS1
InChIInChI=1S/C9H12S/c1-4-8-7(3)6-10-9(8)5-2/h4-5,7H,1-2,6H2,3H3
InChIKeyYZOOUNJTMZLWGE-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene?
The IUPAC name of 4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene (CID 142091964) is 4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene?
The canonical SMILES for 4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene is C=CC1=C(C=C)C(C)CS1.
What is the InChIKey of 4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene?
The InChIKey is YZOOUNJTMZLWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-4-8-7(3)6-10-9(8)5-2/h4-5,7H,1-2,6H2,3H3.
What are the key properties of 4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene?
4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene has a molecular weight of 152.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-3-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 142091964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).