2-[(Z)-1-chlorobut-1-enyl]thiophene

C8H9ClS — CID 102087090

IUPAC2-[(Z)-1-chlorobut-1-enyl]thiophene
SMILESCC/C=C(\Cl)c1cccs1
InChIInChI=1S/C8H9ClS/c1-2-4-7(9)8-5-3-6-10-8/h3-6H,2H2,1H3/b7-4-
InChIKeyVTUUJLDVXHDWMN-DAXSKMNVSA-N
MW172.68 g/mol
LogP3.74
Rot. Bonds2

About 2-[(Z)-1-chlorobut-1-enyl]thiophene

2-[(Z)-1-chlorobut-1-enyl]thiophene (PubChem CID 102087090) has the molecular formula C8H9ClS and a molecular weight of 172.68 g/mol. Its IUPAC name is 2-[(Z)-1-chlorobut-1-enyl]thiophene.

Molecular Properties

Compound Name2-[(Z)-1-chlorobut-1-enyl]thiophene
PubChem CID102087090
Molecular FormulaC8H9ClS
Molecular Weight172.68 g/mol
Exact Mass172.01
IUPAC Name2-[(Z)-1-chlorobut-1-enyl]thiophene
SMILESCC/C=C(\Cl)c1cccs1
InChIInChI=1S/C8H9ClS/c1-2-4-7(9)8-5-3-6-10-8/h3-6H,2H2,1H3/b7-4-
InChIKeyVTUUJLDVXHDWMN-DAXSKMNVSA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.68
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-chlorobut-1-enyl]thiophene?
The IUPAC name of 2-[(Z)-1-chlorobut-1-enyl]thiophene (CID 102087090) is 2-[(Z)-1-chlorobut-1-enyl]thiophene.
What is the SMILES notation for 2-[(Z)-1-chlorobut-1-enyl]thiophene?
The canonical SMILES for 2-[(Z)-1-chlorobut-1-enyl]thiophene is CC/C=C(\Cl)c1cccs1.
What is the InChIKey of 2-[(Z)-1-chlorobut-1-enyl]thiophene?
The InChIKey is VTUUJLDVXHDWMN-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H9ClS/c1-2-4-7(9)8-5-3-6-10-8/h3-6H,2H2,1H3/b7-4-.
What are the key properties of 2-[(Z)-1-chlorobut-1-enyl]thiophene?
2-[(Z)-1-chlorobut-1-enyl]thiophene has a molecular weight of 172.68 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-chlorobut-1-enyl]thiophene is sourced from PubChem (CID 102087090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).