3-propylthiophene

C7H10S — CID 519073

IUPAC3-propylthiophene
SMILESCCCc1ccsc1
InChIInChI=1S/C7H10S/c1-2-3-7-4-5-8-6-7/h4-6H,2-3H2,1H3
InChIKeyQZNFRMXKQCIPQY-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.70
Rot. Bonds2

About 3-propylthiophene

3-propylthiophene (PubChem CID 519073) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 3-propylthiophene.

Molecular Properties

Compound Name3-propylthiophene
PubChem CID519073
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name3-propylthiophene
SMILESCCCc1ccsc1
InChIInChI=1S/C7H10S/c1-2-3-7-4-5-8-6-7/h4-6H,2-3H2,1H3
InChIKeyQZNFRMXKQCIPQY-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propylthiophene?
The IUPAC name of 3-propylthiophene (CID 519073) is 3-propylthiophene.
What is the SMILES notation for 3-propylthiophene?
The canonical SMILES for 3-propylthiophene is CCCc1ccsc1.
What is the InChIKey of 3-propylthiophene?
The InChIKey is QZNFRMXKQCIPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-2-3-7-4-5-8-6-7/h4-6H,2-3H2,1H3.
What are the key properties of 3-propylthiophene?
3-propylthiophene has a molecular weight of 126.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylthiophene is sourced from PubChem (CID 519073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).