2-cyclopropyl-3,5-dimethylthiophene

C9H12S — CID 155737621

IUPAC2-cyclopropyl-3,5-dimethylthiophene
SMILESCc1cc(C)c(C2CC2)s1
InChIInChI=1S/C9H12S/c1-6-5-7(2)10-9(6)8-3-4-8/h5,8H,3-4H2,1-2H3
InChIKeyJOIAANXLWGEEMF-UHFFFAOYSA-N
MW152.26 g/mol
LogP3.24
Rot. Bonds1

About 2-cyclopropyl-3,5-dimethylthiophene

2-cyclopropyl-3,5-dimethylthiophene (PubChem CID 155737621) has the molecular formula C9H12S and a molecular weight of 152.26 g/mol. Its IUPAC name is 2-cyclopropyl-3,5-dimethylthiophene.

Molecular Properties

Compound Name2-cyclopropyl-3,5-dimethylthiophene
PubChem CID155737621
Molecular FormulaC9H12S
Molecular Weight152.26 g/mol
Exact Mass152.07
IUPAC Name2-cyclopropyl-3,5-dimethylthiophene
SMILESCc1cc(C)c(C2CC2)s1
InChIInChI=1S/C9H12S/c1-6-5-7(2)10-9(6)8-3-4-8/h5,8H,3-4H2,1-2H3
InChIKeyJOIAANXLWGEEMF-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3,5-dimethylthiophene?
The IUPAC name of 2-cyclopropyl-3,5-dimethylthiophene (CID 155737621) is 2-cyclopropyl-3,5-dimethylthiophene.
What is the SMILES notation for 2-cyclopropyl-3,5-dimethylthiophene?
The canonical SMILES for 2-cyclopropyl-3,5-dimethylthiophene is Cc1cc(C)c(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-3,5-dimethylthiophene?
The InChIKey is JOIAANXLWGEEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12S/c1-6-5-7(2)10-9(6)8-3-4-8/h5,8H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-3,5-dimethylthiophene?
2-cyclopropyl-3,5-dimethylthiophene has a molecular weight of 152.26 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3,5-dimethylthiophene is sourced from PubChem (CID 155737621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).