5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene

C13H14S — CID 142853618

IUPAC5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene
SMILESCC1=CCC(/C=C/c2ccccc2)S1
InChIInChI=1S/C13H14S/c1-11-7-9-13(14-11)10-8-12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3/b10-8+
InChIKeyMSKPWMLDUUGQAX-CSKARUKUSA-N
MW202.32 g/mol
LogP4.11
Rot. Bonds2

About 5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene

5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene (PubChem CID 142853618) has the molecular formula C13H14S and a molecular weight of 202.32 g/mol. Its IUPAC name is 5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene
PubChem CID142853618
Molecular FormulaC13H14S
Molecular Weight202.32 g/mol
Exact Mass202.08
IUPAC Name5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene
SMILESCC1=CCC(/C=C/c2ccccc2)S1
InChIInChI=1S/C13H14S/c1-11-7-9-13(14-11)10-8-12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3/b10-8+
InChIKeyMSKPWMLDUUGQAX-CSKARUKUSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-2-phenylethenyl]thiolane
CID 175715448
(1S,3S)-2-[(E)-2-phenylethenyl]-1,3-dithiolane 1,3-dioxide
CID 10421779
[(E)-2-(4-ethenyl-2,3-dimethylcyclopent-2-en-1-yl)ethenyl]benzene
CID 144592641
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
3-(aminomethylidene)-2-(2-phenylethenyl)cyclopentan-1-one
CID 174636766
CID 70569152
CID 70569152
CID 70567885
CID 70567885
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 6043851
1,3-bis(2,6-dimethylphenyl)-6-[(E)-2-phenylethenyl]-1,3-diazinane-2,4-dione
CID 71739240

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene?
The IUPAC name of 5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene (CID 142853618) is 5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene.
What is the SMILES notation for 5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene?
The canonical SMILES for 5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene is CC1=CCC(/C=C/c2ccccc2)S1.
What is the InChIKey of 5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene?
The InChIKey is MSKPWMLDUUGQAX-CSKARUKUSA-N. The full InChI is InChI=1S/C13H14S/c1-11-7-9-13(14-11)10-8-12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3/b10-8+.
What are the key properties of 5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene?
5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene has a molecular weight of 202.32 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(E)-2-phenylethenyl]-2,3-dihydrothiophene is sourced from PubChem (CID 142853618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).