5-methylidene-4-propan-2-yl-2H-thiophene

C8H12S — CID 59293492

IUPAC5-methylidene-4-propan-2-yl-2H-thiophene
SMILESC=C1SCC=C1C(C)C
InChIInChI=1S/C8H12S/c1-6(2)8-4-5-9-7(8)3/h4,6H,3,5H2,1-2H3
InChIKeyJWFHHRSZACEOFL-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.83
Rot. Bonds1

About 5-methylidene-4-propan-2-yl-2H-thiophene

5-methylidene-4-propan-2-yl-2H-thiophene (PubChem CID 59293492) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 5-methylidene-4-propan-2-yl-2H-thiophene.

Molecular Properties

Compound Name5-methylidene-4-propan-2-yl-2H-thiophene
PubChem CID59293492
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name5-methylidene-4-propan-2-yl-2H-thiophene
SMILESC=C1SCC=C1C(C)C
InChIInChI=1S/C8H12S/c1-6(2)8-4-5-9-7(8)3/h4,6H,3,5H2,1-2H3
InChIKeyJWFHHRSZACEOFL-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
3a,7a-Dihydro-1-benzothiophene
CID 18380278
Methylcyclopenta[b]thiophene
CID 21095561
5-(2-Methylpropyl)-2,3-dihydrothiophene
CID 89105514
5-Fluoro-6-methyl-3a,4-dihydro-1-benzothiophene
CID 123954887
4-Fluoro-1-(2-fluoropropylsulfanyl)-2,5-dimethylcyclohexa-1,3-diene
CID 134569680
1-Fluoro-6-methyl-2-(propylsulfanylmethyl)cyclohexa-1,3-diene
CID 139457569
7-Fluoro-6-methyl-5,6-dihydro-1-benzothiophene
CID 155372178
(3Z)-3-[(2E)-2-fluoro-3-methylpenta-2,4-dienylidene]-5-methylthiophene
CID 163415117
4-Fluoro-2,6-dimethyl-1-methylsulfanylcyclohexa-1,3-diene
CID 173055754
(3R)-2-[(S)-fluoro(methylsulfanyl)methyl]-3,5-dimethyl-2,3-dihydrothiophene
CID 173989263
Ethylfurfuryl sulfide
CID 528326

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-4-propan-2-yl-2H-thiophene?
The IUPAC name of 5-methylidene-4-propan-2-yl-2H-thiophene (CID 59293492) is 5-methylidene-4-propan-2-yl-2H-thiophene.
What is the SMILES notation for 5-methylidene-4-propan-2-yl-2H-thiophene?
The canonical SMILES for 5-methylidene-4-propan-2-yl-2H-thiophene is C=C1SCC=C1C(C)C.
What is the InChIKey of 5-methylidene-4-propan-2-yl-2H-thiophene?
The InChIKey is JWFHHRSZACEOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-6(2)8-4-5-9-7(8)3/h4,6H,3,5H2,1-2H3.
What are the key properties of 5-methylidene-4-propan-2-yl-2H-thiophene?
5-methylidene-4-propan-2-yl-2H-thiophene has a molecular weight of 140.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-4-propan-2-yl-2H-thiophene is sourced from PubChem (CID 59293492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).