3-propyl-2,5-dihydrothiophene

C7H12S — CID 57182314

IUPAC3-propyl-2,5-dihydrothiophene
SMILESCCCC1=CCSC1
InChIInChI=1S/C7H12S/c1-2-3-7-4-5-8-6-7/h4H,2-3,5-6H2,1H3
InChIKeyPPEYDSMOXCVZJJ-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.46
Rot. Bonds2

About 3-propyl-2,5-dihydrothiophene

3-propyl-2,5-dihydrothiophene (PubChem CID 57182314) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 3-propyl-2,5-dihydrothiophene.

Molecular Properties

Compound Name3-propyl-2,5-dihydrothiophene
PubChem CID57182314
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name3-propyl-2,5-dihydrothiophene
SMILESCCCC1=CCSC1
InChIInChI=1S/C7H12S/c1-2-3-7-4-5-8-6-7/h4H,2-3,5-6H2,1H3
InChIKeyPPEYDSMOXCVZJJ-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-2,3-dihydrothiophene
CID 559083
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2E)-
CID 6442043
2,6-Octadiene, 3,7-dimethyl-1-(methylthio)-, (2Z)-
CID 6442039
2H-Thiopyran,3,4-dihydro-6-methyl-
CID 139371
Cyclopentene, (methylthio)-
CID 5325880
(2E,6E)-3,7,11-trimethyl-1-propylsulfanyldodeca-2,6,10-triene
CID 71498425
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
2-Propyl-2,5-dihydrothiophene
CID 15032355
5-Butyl-2,3-dihydrothiophene
CID 11062496
4-methyl-3,6-dihydro-2H-thiopyran
CID 12282558
5-Methyl-2-propan-2-yl-2,3-dihydrothiophene
CID 12596207
3-Methylsulfanylcyclopentene
CID 13244645

Frequently Asked Questions

What is the IUPAC name of 3-propyl-2,5-dihydrothiophene?
The IUPAC name of 3-propyl-2,5-dihydrothiophene (CID 57182314) is 3-propyl-2,5-dihydrothiophene.
What is the SMILES notation for 3-propyl-2,5-dihydrothiophene?
The canonical SMILES for 3-propyl-2,5-dihydrothiophene is CCCC1=CCSC1.
What is the InChIKey of 3-propyl-2,5-dihydrothiophene?
The InChIKey is PPEYDSMOXCVZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-2-3-7-4-5-8-6-7/h4H,2-3,5-6H2,1H3.
What are the key properties of 3-propyl-2,5-dihydrothiophene?
3-propyl-2,5-dihydrothiophene has a molecular weight of 128.24 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2,5-dihydrothiophene is sourced from PubChem (CID 57182314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).