2-prop-2-enylsulfanylthiophene

C7H8S2 — CID 11829697

IUPAC2-prop-2-enylsulfanylthiophene
SMILESC=CCSc1cccs1
InChIInChI=1S/C7H8S2/c1-2-5-8-7-4-3-6-9-7/h2-4,6H,1,5H2
InChIKeyMYBKJAKHPFIXNE-UHFFFAOYSA-N
MW156.27 g/mol
LogP3.03
Rot. Bonds3

About 2-prop-2-enylsulfanylthiophene

2-prop-2-enylsulfanylthiophene (PubChem CID 11829697) has the molecular formula C7H8S2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-prop-2-enylsulfanylthiophene.

Molecular Properties

Compound Name2-prop-2-enylsulfanylthiophene
PubChem CID11829697
Molecular FormulaC7H8S2
Molecular Weight156.27 g/mol
Exact Mass156.01
IUPAC Name2-prop-2-enylsulfanylthiophene
SMILESC=CCSc1cccs1
InChIInChI=1S/C7H8S2/c1-2-5-8-7-4-3-6-9-7/h2-4,6H,1,5H2
InChIKeyMYBKJAKHPFIXNE-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfanylthiophene?
The IUPAC name of 2-prop-2-enylsulfanylthiophene (CID 11829697) is 2-prop-2-enylsulfanylthiophene.
What is the SMILES notation for 2-prop-2-enylsulfanylthiophene?
The canonical SMILES for 2-prop-2-enylsulfanylthiophene is C=CCSc1cccs1.
What is the InChIKey of 2-prop-2-enylsulfanylthiophene?
The InChIKey is MYBKJAKHPFIXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S2/c1-2-5-8-7-4-3-6-9-7/h2-4,6H,1,5H2.
What are the key properties of 2-prop-2-enylsulfanylthiophene?
2-prop-2-enylsulfanylthiophene has a molecular weight of 156.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfanylthiophene is sourced from PubChem (CID 11829697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).