2-chloro-5-(2-methylidenecyclopropyl)thiophene

C8H7ClS — CID 123448045

IUPAC2-chloro-5-(2-methylidenecyclopropyl)thiophene
SMILESC=C1CC1c1ccc(Cl)s1
InChIInChI=1S/C8H7ClS/c1-5-4-6(5)7-2-3-8(9)10-7/h2-3,6H,1,4H2
InChIKeyCAJSOKZEOXVGIN-UHFFFAOYSA-N
MW170.66 g/mol
LogP3.44
Rot. Bonds1

About 2-chloro-5-(2-methylidenecyclopropyl)thiophene

2-chloro-5-(2-methylidenecyclopropyl)thiophene (PubChem CID 123448045) has the molecular formula C8H7ClS and a molecular weight of 170.66 g/mol. Its IUPAC name is 2-chloro-5-(2-methylidenecyclopropyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-(2-methylidenecyclopropyl)thiophene
PubChem CID123448045
Molecular FormulaC8H7ClS
Molecular Weight170.66 g/mol
Exact Mass170.00
IUPAC Name2-chloro-5-(2-methylidenecyclopropyl)thiophene
SMILESC=C1CC1c1ccc(Cl)s1
InChIInChI=1S/C8H7ClS/c1-5-4-6(5)7-2-3-8(9)10-7/h2-3,6H,1,4H2
InChIKeyCAJSOKZEOXVGIN-UHFFFAOYSA-N
XLogP3.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.66
LogP ≤ 53.44
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-(2-methylidenecyclopropyl)thiophene?
The IUPAC name of 2-chloro-5-(2-methylidenecyclopropyl)thiophene (CID 123448045) is 2-chloro-5-(2-methylidenecyclopropyl)thiophene.
What is the SMILES notation for 2-chloro-5-(2-methylidenecyclopropyl)thiophene?
The canonical SMILES for 2-chloro-5-(2-methylidenecyclopropyl)thiophene is C=C1CC1c1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-(2-methylidenecyclopropyl)thiophene?
The InChIKey is CAJSOKZEOXVGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClS/c1-5-4-6(5)7-2-3-8(9)10-7/h2-3,6H,1,4H2.
What are the key properties of 2-chloro-5-(2-methylidenecyclopropyl)thiophene?
2-chloro-5-(2-methylidenecyclopropyl)thiophene has a molecular weight of 170.66 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylidenecyclopropyl)thiophene is sourced from PubChem (CID 123448045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).