2-but-1-enylselanylthiophene

C8H10SSe — CID 175453195

IUPAC2-but-1-enylselanylthiophene
SMILESCCC=C[Se]c1cccs1
InChIInChI=1S/C8H10SSe/c1-2-3-7-10-8-5-4-6-9-8/h3-7H,2H2,1H3
InChIKeyPJVDJHYYYDNGQV-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.00
Rot. Bonds3

About 2-but-1-enylselanylthiophene

2-but-1-enylselanylthiophene (PubChem CID 175453195) has the molecular formula C8H10SSe and a molecular weight of 217.20 g/mol. Its IUPAC name is 2-but-1-enylselanylthiophene.

Molecular Properties

Compound Name2-but-1-enylselanylthiophene
PubChem CID175453195
Molecular FormulaC8H10SSe
Molecular Weight217.20 g/mol
Exact Mass217.97
IUPAC Name2-but-1-enylselanylthiophene
SMILESCCC=C[Se]c1cccs1
InChIInChI=1S/C8H10SSe/c1-2-3-7-10-8-5-4-6-9-8/h3-7H,2H2,1H3
InChIKeyPJVDJHYYYDNGQV-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
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2-[(E)-3-ethylhept-4-en-3-yl]thiophene
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2-but-1-enylperoxythiophene
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2-[(Z)-1-chlorobut-1-enyl]thiophene
CID 102087090
diethyl(dithiophen-2-yl)silane
CID 121007146
but-1-yne;2-thiophen-2-ylthiophene
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CID 126676876
anthracene;(E)-hex-3-ene;propane
CID 144562643
2-thiophen-2-ylselanylacetic acid
CID 88744759
(E)-2-thiophen-2-ylpent-2-enenitrile
CID 82074726
2-(1-methoxyethoxymethylselanyl)thiophene
CID 20721868
1-thiophen-2-ylpropan-1-one
CID 26179

Frequently Asked Questions

What is the IUPAC name of 2-but-1-enylselanylthiophene?
The IUPAC name of 2-but-1-enylselanylthiophene (CID 175453195) is 2-but-1-enylselanylthiophene.
What is the SMILES notation for 2-but-1-enylselanylthiophene?
The canonical SMILES for 2-but-1-enylselanylthiophene is CCC=C[Se]c1cccs1.
What is the InChIKey of 2-but-1-enylselanylthiophene?
The InChIKey is PJVDJHYYYDNGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10SSe/c1-2-3-7-10-8-5-4-6-9-8/h3-7H,2H2,1H3.
What are the key properties of 2-but-1-enylselanylthiophene?
2-but-1-enylselanylthiophene has a molecular weight of 217.20 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enylselanylthiophene is sourced from PubChem (CID 175453195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).