5-(3-ethylphenyl)-2,3-dihydrothiophene

C12H14S — CID 142267834

IUPAC5-(3-ethylphenyl)-2,3-dihydrothiophene
SMILESCCc1cccc(C2=CCCS2)c1
InChIInChI=1S/C12H14S/c1-2-10-5-3-6-11(9-10)12-7-4-8-13-12/h3,5-7,9H,2,4,8H2,1H3
InChIKeyVYSKQNYVTRFJNK-UHFFFAOYSA-N
MW190.31 g/mol
LogP3.73
Rot. Bonds2

About 5-(3-ethylphenyl)-2,3-dihydrothiophene

5-(3-ethylphenyl)-2,3-dihydrothiophene (PubChem CID 142267834) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is 5-(3-ethylphenyl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-(3-ethylphenyl)-2,3-dihydrothiophene
PubChem CID142267834
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name5-(3-ethylphenyl)-2,3-dihydrothiophene
SMILESCCc1cccc(C2=CCCS2)c1
InChIInChI=1S/C12H14S/c1-2-10-5-3-6-11(9-10)12-7-4-8-13-12/h3,5-7,9H,2,4,8H2,1H3
InChIKeyVYSKQNYVTRFJNK-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopenten-1-yl)-3-ethylbenzene
CID 150038246
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122
1-ethyl-3-phenylbenzene;propane
CID 145466525
CID 143725407
CID 143725407
1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene
CID 139831018
5-chloro-3-(3-ethylphenyl)-2-iodothiophene
CID 68915085
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
1-ethyl-3-[4-(iodomethyl)phenyl]benzene
CID 138533012
1-(3-bromophenyl)-4-(3-ethylphenyl)benzene
CID 143388635
2-(3-ethylphenyl)-5-fluorocyclohepta-1,3,5-triene
CID 142869489
4-(3-ethylphenyl)benzamide
CID 54454087
1-bromo-4-ethyl-2-(3-ethylphenyl)benzene
CID 142855411

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylphenyl)-2,3-dihydrothiophene?
The IUPAC name of 5-(3-ethylphenyl)-2,3-dihydrothiophene (CID 142267834) is 5-(3-ethylphenyl)-2,3-dihydrothiophene.
What is the SMILES notation for 5-(3-ethylphenyl)-2,3-dihydrothiophene?
The canonical SMILES for 5-(3-ethylphenyl)-2,3-dihydrothiophene is CCc1cccc(C2=CCCS2)c1.
What is the InChIKey of 5-(3-ethylphenyl)-2,3-dihydrothiophene?
The InChIKey is VYSKQNYVTRFJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S/c1-2-10-5-3-6-11(9-10)12-7-4-8-13-12/h3,5-7,9H,2,4,8H2,1H3.
What are the key properties of 5-(3-ethylphenyl)-2,3-dihydrothiophene?
5-(3-ethylphenyl)-2,3-dihydrothiophene has a molecular weight of 190.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylphenyl)-2,3-dihydrothiophene is sourced from PubChem (CID 142267834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).