2-(3-bromopropylsulfanyl)thiophene

C7H9BrS2 — CID 43135484

IUPAC2-(3-bromopropylsulfanyl)thiophene
SMILESBrCCCSc1cccs1
InChIInChI=1S/C7H9BrS2/c8-4-2-6-10-7-3-1-5-9-7/h1,3,5H,2,4,6H2
InChIKeyMDKQNOCUQIBENI-UHFFFAOYSA-N
MW237.19 g/mol
LogP3.63
Rot. Bonds4

About 2-(3-bromopropylsulfanyl)thiophene

2-(3-bromopropylsulfanyl)thiophene (PubChem CID 43135484) has the molecular formula C7H9BrS2 and a molecular weight of 237.19 g/mol. Its IUPAC name is 2-(3-bromopropylsulfanyl)thiophene.

Molecular Properties

Compound Name2-(3-bromopropylsulfanyl)thiophene
PubChem CID43135484
Molecular FormulaC7H9BrS2
Molecular Weight237.19 g/mol
Exact Mass235.93
IUPAC Name2-(3-bromopropylsulfanyl)thiophene
SMILESBrCCCSc1cccs1
InChIInChI=1S/C7H9BrS2/c8-4-2-6-10-7-3-1-5-9-7/h1,3,5H,2,4,6H2
InChIKeyMDKQNOCUQIBENI-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropylsulfanyl)thiophene?
The IUPAC name of 2-(3-bromopropylsulfanyl)thiophene (CID 43135484) is 2-(3-bromopropylsulfanyl)thiophene.
What is the SMILES notation for 2-(3-bromopropylsulfanyl)thiophene?
The canonical SMILES for 2-(3-bromopropylsulfanyl)thiophene is BrCCCSc1cccs1.
What is the InChIKey of 2-(3-bromopropylsulfanyl)thiophene?
The InChIKey is MDKQNOCUQIBENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrS2/c8-4-2-6-10-7-3-1-5-9-7/h1,3,5H,2,4,6H2.
What are the key properties of 2-(3-bromopropylsulfanyl)thiophene?
2-(3-bromopropylsulfanyl)thiophene has a molecular weight of 237.19 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropylsulfanyl)thiophene is sourced from PubChem (CID 43135484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).