2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene

C8H9BrS2 — CID 10514737

IUPAC2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene
SMILESBr/C=C/CSCc1cccs1
InChIInChI=1S/C8H9BrS2/c9-4-2-5-10-7-8-3-1-6-11-8/h1-4,6H,5,7H2/b4-2+
InChIKeyBCFWYDKDQXODSZ-DUXPYHPUSA-N
MW249.20 g/mol
LogP3.89
Rot. Bonds4

About 2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene

2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene (PubChem CID 10514737) has the molecular formula C8H9BrS2 and a molecular weight of 249.20 g/mol. Its IUPAC name is 2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene.

Molecular Properties

Compound Name2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene
PubChem CID10514737
Molecular FormulaC8H9BrS2
Molecular Weight249.20 g/mol
Exact Mass247.93
IUPAC Name2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene
SMILESBr/C=C/CSCc1cccs1
InChIInChI=1S/C8H9BrS2/c9-4-2-5-10-7-8-3-1-6-11-8/h1-4,6H,5,7H2/b4-2+
InChIKeyBCFWYDKDQXODSZ-DUXPYHPUSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromoprop-2-enyl)thiophene
CID 173138002
2-(thiophen-2-ylmethylsulfanyl)ethylazanium
CID 7129022
2-(methylsulfanylmethyl)thiophene
CID 12872111
2-(ethenylsulfanylmethyl)thiophene
CID 19076101
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
1-(thiophen-2-ylmethylsulfanyl)propan-2-amine
CID 66217000
2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
CID 5159898
2-(bromomethyl)thiophene
CID 11829978
2-[(3-phenylprop-2-enyltrisulfanyl)methyl]thiophene
CID 76653554
(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid
CID 36690947
2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene
CID 5060586
2-(cyclopentylsulfanylmethyl)thiophene
CID 130677399

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene?
The IUPAC name of 2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene (CID 10514737) is 2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene.
What is the SMILES notation for 2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene?
The canonical SMILES for 2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene is Br/C=C/CSCc1cccs1.
What is the InChIKey of 2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene?
The InChIKey is BCFWYDKDQXODSZ-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H9BrS2/c9-4-2-5-10-7-8-3-1-6-11-8/h1-4,6H,5,7H2/b4-2+.
What are the key properties of 2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene?
2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene has a molecular weight of 249.20 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene is sourced from PubChem (CID 10514737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).