3-[(E)-3-chloroprop-1-enyl]thiophene

C7H7ClS — CID 19985720

IUPAC3-[(E)-3-chloroprop-1-enyl]thiophene
SMILESClC/C=C/c1ccsc1
InChIInChI=1S/C7H7ClS/c8-4-1-2-7-3-5-9-6-7/h1-3,5-6H,4H2/b2-1+
InChIKeyAKXNSCAUPMPGMZ-OWOJBTEDSA-N
MW158.65 g/mol
LogP3.00
Rot. Bonds2

About 3-[(E)-3-chloroprop-1-enyl]thiophene

3-[(E)-3-chloroprop-1-enyl]thiophene (PubChem CID 19985720) has the molecular formula C7H7ClS and a molecular weight of 158.65 g/mol. Its IUPAC name is 3-[(E)-3-chloroprop-1-enyl]thiophene.

Molecular Properties

Compound Name3-[(E)-3-chloroprop-1-enyl]thiophene
PubChem CID19985720
Molecular FormulaC7H7ClS
Molecular Weight158.65 g/mol
Exact Mass158.00
IUPAC Name3-[(E)-3-chloroprop-1-enyl]thiophene
SMILESClC/C=C/c1ccsc1
InChIInChI=1S/C7H7ClS/c8-4-1-2-7-3-5-9-6-7/h1-3,5-6H,4H2/b2-1+
InChIKeyAKXNSCAUPMPGMZ-OWOJBTEDSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-chloroprop-1-enyl]thiophene?
The IUPAC name of 3-[(E)-3-chloroprop-1-enyl]thiophene (CID 19985720) is 3-[(E)-3-chloroprop-1-enyl]thiophene.
What is the SMILES notation for 3-[(E)-3-chloroprop-1-enyl]thiophene?
The canonical SMILES for 3-[(E)-3-chloroprop-1-enyl]thiophene is ClC/C=C/c1ccsc1.
What is the InChIKey of 3-[(E)-3-chloroprop-1-enyl]thiophene?
The InChIKey is AKXNSCAUPMPGMZ-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H7ClS/c8-4-1-2-7-3-5-9-6-7/h1-3,5-6H,4H2/b2-1+.
What are the key properties of 3-[(E)-3-chloroprop-1-enyl]thiophene?
3-[(E)-3-chloroprop-1-enyl]thiophene has a molecular weight of 158.65 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-chloroprop-1-enyl]thiophene is sourced from PubChem (CID 19985720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).