2-propyl-2,5-dihydrothiophene

C7H12S — CID 15032355

IUPAC2-propyl-2,5-dihydrothiophene
SMILESCCCC1C=CCS1
InChIInChI=1S/C7H12S/c1-2-4-7-5-3-6-8-7/h3,5,7H,2,4,6H2,1H3
InChIKeyXZUSCSDNIIVHGO-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.46
Rot. Bonds2

About 2-propyl-2,5-dihydrothiophene

2-propyl-2,5-dihydrothiophene (PubChem CID 15032355) has the molecular formula C7H12S and a molecular weight of 128.24 g/mol. Its IUPAC name is 2-propyl-2,5-dihydrothiophene.

Molecular Properties

Compound Name2-propyl-2,5-dihydrothiophene
PubChem CID15032355
Molecular FormulaC7H12S
Molecular Weight128.24 g/mol
Exact Mass128.07
IUPAC Name2-propyl-2,5-dihydrothiophene
SMILESCCCC1C=CCS1
InChIInChI=1S/C7H12S/c1-2-4-7-5-3-6-8-7/h3,5,7H,2,4,6H2,1H3
InChIKeyXZUSCSDNIIVHGO-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
2,3-Dihydro-5-methyl-3-thiophenethiol
CID 20362516
2H-Thiopyran,3,4-dihydro-6-methyl-
CID 139371
2,5-Dimethyl-2,5-dihydrothiophene
CID 293717
Cyclopentene, (methylthio)-
CID 5325880
2,5-Dihydro-2-methylthiophen
CID 13115594
(E)-1-methylsulfanylhept-2-ene
CID 13215828
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
2-Ethyl-2,5-dihydrothiophene
CID 12596162
3-Ethylsulfanylcyclohexene
CID 10975594
5-Butyl-2,3-dihydrothiophene
CID 11062496
3,4,7,8-tetrahydro-2H-thiocine
CID 11126281

Frequently Asked Questions

What is the IUPAC name of 2-propyl-2,5-dihydrothiophene?
The IUPAC name of 2-propyl-2,5-dihydrothiophene (CID 15032355) is 2-propyl-2,5-dihydrothiophene.
What is the SMILES notation for 2-propyl-2,5-dihydrothiophene?
The canonical SMILES for 2-propyl-2,5-dihydrothiophene is CCCC1C=CCS1.
What is the InChIKey of 2-propyl-2,5-dihydrothiophene?
The InChIKey is XZUSCSDNIIVHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S/c1-2-4-7-5-3-6-8-7/h3,5,7H,2,4,6H2,1H3.
What are the key properties of 2-propyl-2,5-dihydrothiophene?
2-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 2-propyl-2,5-dihydrothiophene is sourced from PubChem (CID 15032355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).