2-chloro-5-prop-2-enylthiophene

C7H7ClS — CID 24722142

IUPAC2-chloro-5-prop-2-enylthiophene
SMILESC=CCc1ccc(Cl)s1
InChIInChI=1S/C7H7ClS/c1-2-3-6-4-5-7(8)9-6/h2,4-5H,1,3H2
InChIKeyUDUCWJYSKSZDSJ-UHFFFAOYSA-N
MW158.65 g/mol
LogP3.13
Rot. Bonds2

About 2-chloro-5-prop-2-enylthiophene

2-chloro-5-prop-2-enylthiophene (PubChem CID 24722142) has the molecular formula C7H7ClS and a molecular weight of 158.65 g/mol. Its IUPAC name is 2-chloro-5-prop-2-enylthiophene.

Molecular Properties

Compound Name2-chloro-5-prop-2-enylthiophene
PubChem CID24722142
Molecular FormulaC7H7ClS
Molecular Weight158.65 g/mol
Exact Mass158.00
IUPAC Name2-chloro-5-prop-2-enylthiophene
SMILESC=CCc1ccc(Cl)s1
InChIInChI=1S/C7H7ClS/c1-2-3-6-4-5-7(8)9-6/h2,4-5H,1,3H2
InChIKeyUDUCWJYSKSZDSJ-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.65
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-prop-2-enylthiophene?
The IUPAC name of 2-chloro-5-prop-2-enylthiophene (CID 24722142) is 2-chloro-5-prop-2-enylthiophene.
What is the SMILES notation for 2-chloro-5-prop-2-enylthiophene?
The canonical SMILES for 2-chloro-5-prop-2-enylthiophene is C=CCc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-prop-2-enylthiophene?
The InChIKey is UDUCWJYSKSZDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClS/c1-2-3-6-4-5-7(8)9-6/h2,4-5H,1,3H2.
What are the key properties of 2-chloro-5-prop-2-enylthiophene?
2-chloro-5-prop-2-enylthiophene has a molecular weight of 158.65 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-prop-2-enylthiophene is sourced from PubChem (CID 24722142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).