2-butyl-3-propyl-2,3-dihydrothiophene

C11H20S — CID 57001396

IUPAC2-butyl-3-propyl-2,3-dihydrothiophene
SMILESCCCCC1SC=CC1CCC
InChIInChI=1S/C11H20S/c1-3-5-7-11-10(6-4-2)8-9-12-11/h8-11H,3-7H2,1-2H3
InChIKeyHZSTWFTWZXYYCC-UHFFFAOYSA-N
MW184.35 g/mol
LogP4.22
Rot. Bonds5

About 2-butyl-3-propyl-2,3-dihydrothiophene

2-butyl-3-propyl-2,3-dihydrothiophene (PubChem CID 57001396) has the molecular formula C11H20S and a molecular weight of 184.35 g/mol. Its IUPAC name is 2-butyl-3-propyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-butyl-3-propyl-2,3-dihydrothiophene
PubChem CID57001396
Molecular FormulaC11H20S
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name2-butyl-3-propyl-2,3-dihydrothiophene
SMILESCCCCC1SC=CC1CCC
InChIInChI=1S/C11H20S/c1-3-5-7-11-10(6-4-2)8-9-12-11/h8-11H,3-7H2,1-2H3
InChIKeyHZSTWFTWZXYYCC-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-Epithio-2-hexyl-3-butene
CID 57702333
6-Fluoro-3,6-dimethyl-2-methylsulfanylnon-1-ene
CID 155274520
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143
3-Ethenyloctane-1-thiol
CID 12400865
2,4,6-Trimethyloct-7-ene-1-thiol
CID 20298660
1-Hex-5-enylsulfanyl-6-methylheptane
CID 23466487
9-(2-Methylpropylsulfanyl)non-1-ene
CID 23466633
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979
3-Ethyl-2-propyl-2,3-dihydrothiophene 1-oxide
CID 53933044
4-Ethyl-2-prop-2-enylthiane
CID 54118197
2-Prop-2-enyl-4-propylthiane
CID 54285710

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-propyl-2,3-dihydrothiophene?
The IUPAC name of 2-butyl-3-propyl-2,3-dihydrothiophene (CID 57001396) is 2-butyl-3-propyl-2,3-dihydrothiophene.
What is the SMILES notation for 2-butyl-3-propyl-2,3-dihydrothiophene?
The canonical SMILES for 2-butyl-3-propyl-2,3-dihydrothiophene is CCCCC1SC=CC1CCC.
What is the InChIKey of 2-butyl-3-propyl-2,3-dihydrothiophene?
The InChIKey is HZSTWFTWZXYYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20S/c1-3-5-7-11-10(6-4-2)8-9-12-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-butyl-3-propyl-2,3-dihydrothiophene?
2-butyl-3-propyl-2,3-dihydrothiophene has a molecular weight of 184.35 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-propyl-2,3-dihydrothiophene is sourced from PubChem (CID 57001396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).