3-cyclopropylthiophene

C7H8S — CID 19939947

IUPAC3-cyclopropylthiophene
SMILESc1cc(C2CC2)cs1
InChIInChI=1S/C7H8S/c1-2-6(1)7-3-4-8-5-7/h3-6H,1-2H2
InChIKeyVJZURLOLAINIDN-UHFFFAOYSA-N
MW124.21 g/mol
LogP2.63
Rot. Bonds1

About 3-cyclopropylthiophene

3-cyclopropylthiophene (PubChem CID 19939947) has the molecular formula C7H8S and a molecular weight of 124.21 g/mol. Its IUPAC name is 3-cyclopropylthiophene.

Molecular Properties

Compound Name3-cyclopropylthiophene
PubChem CID19939947
Molecular FormulaC7H8S
Molecular Weight124.21 g/mol
Exact Mass124.03
IUPAC Name3-cyclopropylthiophene
SMILESc1cc(C2CC2)cs1
InChIInChI=1S/C7H8S/c1-2-6(1)7-3-4-8-5-7/h3-6H,1-2H2
InChIKeyVJZURLOLAINIDN-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 566339
CID 566339
CID 520753
CID 520753
CID 519073
CID 519073
CID 566107
CID 566107
CID 566849
CID 566849
CID 566852
CID 566852
CID 15345429
CID 15345429
CID 137156
CID 137156
CID 566850
CID 566850
CID 580132
CID 580132
CID 520437
CID 520437

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylthiophene?
The IUPAC name of 3-cyclopropylthiophene (CID 19939947) is 3-cyclopropylthiophene.
What is the SMILES notation for 3-cyclopropylthiophene?
The canonical SMILES for 3-cyclopropylthiophene is c1cc(C2CC2)cs1.
What is the InChIKey of 3-cyclopropylthiophene?
The InChIKey is VJZURLOLAINIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S/c1-2-6(1)7-3-4-8-5-7/h3-6H,1-2H2.
What are the key properties of 3-cyclopropylthiophene?
3-cyclopropylthiophene has a molecular weight of 124.21 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylthiophene is sourced from PubChem (CID 19939947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).