2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene

C8H12S — CID 147683600

IUPAC2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene
SMILESC=C(C)C1=CCC(C)S1
InChIInChI=1S/C8H12S/c1-6(2)8-5-4-7(3)9-8/h5,7H,1,4H2,2-3H3
InChIKeyGPOZNFFTPYQXEA-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.97
Rot. Bonds1

About 2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene

2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene (PubChem CID 147683600) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene
PubChem CID147683600
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene
SMILESC=C(C)C1=CCC(C)S1
InChIInChI=1S/C8H12S/c1-6(2)8-5-4-7(3)9-8/h5,7H,1,4H2,2-3H3
InChIKeyGPOZNFFTPYQXEA-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-methyl-2,3-dihydrothiophene
CID 88984549
(2R)-5-bromo-2-methyl-2,3-dihydrothiophene
CID 148727761
1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane
CID 156650875
1-(2-methyl-2,3-dihydrothiophen-5-yl)piperidine
CID 89399017
4,7,9-trimethyl-1-prop-1-en-2-ylspiro[4.5]dec-3-en-8-one
CID 154157892
5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)-2-[5-methyl-3-(2-methyl-2,3-dihydrothiophen-5-yl)thiophen-2-yl]thiophene
CID 71022659
[(4R)-4-prop-1-en-2-ylcyclopenten-1-yl]methanol
CID 102093569
2-[(2-methyl-2,3-dihydrothiophen-5-yl)methyl]thiophene
CID 170259290
N-[1-[(4R)-4,5,5-trimethylcyclopenten-1-yl]ethenyl]acetamide
CID 135012318
(2R,6S)-2-hydroxy-3-methyl-6-prop-1-en-2-ylcyclohex-3-en-1-one
CID 102181609
4-but-2-enyl-1-prop-1-en-2-ylcyclohexene
CID 57127473
2,7-bis(prop-1-en-2-yl)pyrene
CID 162639886

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene?
The IUPAC name of 2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene (CID 147683600) is 2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene.
What is the SMILES notation for 2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene?
The canonical SMILES for 2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene is C=C(C)C1=CCC(C)S1.
What is the InChIKey of 2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene?
The InChIKey is GPOZNFFTPYQXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-6(2)8-5-4-7(3)9-8/h5,7H,1,4H2,2-3H3.
What are the key properties of 2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene?
2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene has a molecular weight of 140.25 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-1-en-2-yl-2,3-dihydrothiophene is sourced from PubChem (CID 147683600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).