2-(3-bromoprop-2-enyl)thiophene

C7H7BrS — CID 173138002

IUPAC2-(3-bromoprop-2-enyl)thiophene
SMILESBrC=CCc1cccs1
InChIInChI=1S/C7H7BrS/c8-5-1-3-7-4-2-6-9-7/h1-2,4-6H,3H2
InChIKeyBPJQSWCSRHUSSG-UHFFFAOYSA-N
MW203.10 g/mol
LogP3.20
Rot. Bonds2

About 2-(3-bromoprop-2-enyl)thiophene

2-(3-bromoprop-2-enyl)thiophene (PubChem CID 173138002) has the molecular formula C7H7BrS and a molecular weight of 203.10 g/mol. Its IUPAC name is 2-(3-bromoprop-2-enyl)thiophene.

Molecular Properties

Compound Name2-(3-bromoprop-2-enyl)thiophene
PubChem CID173138002
Molecular FormulaC7H7BrS
Molecular Weight203.10 g/mol
Exact Mass201.95
IUPAC Name2-(3-bromoprop-2-enyl)thiophene
SMILESBrC=CCc1cccs1
InChIInChI=1S/C7H7BrS/c8-5-1-3-7-4-2-6-9-7/h1-2,4-6H,3H2
InChIKeyBPJQSWCSRHUSSG-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.10
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-2-enyl)thiophene?
The IUPAC name of 2-(3-bromoprop-2-enyl)thiophene (CID 173138002) is 2-(3-bromoprop-2-enyl)thiophene.
What is the SMILES notation for 2-(3-bromoprop-2-enyl)thiophene?
The canonical SMILES for 2-(3-bromoprop-2-enyl)thiophene is BrC=CCc1cccs1.
What is the InChIKey of 2-(3-bromoprop-2-enyl)thiophene?
The InChIKey is BPJQSWCSRHUSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrS/c8-5-1-3-7-4-2-6-9-7/h1-2,4-6H,3H2.
What are the key properties of 2-(3-bromoprop-2-enyl)thiophene?
2-(3-bromoprop-2-enyl)thiophene has a molecular weight of 203.10 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-2-enyl)thiophene is sourced from PubChem (CID 173138002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).