2-ethenylsulfanyl-1H-pyrrole

C6H7NS — CID 45092670

IUPAC2-ethenylsulfanyl-1H-pyrrole
SMILESC=CSc1ccc[nH]1
InChIInChI=1S/C6H7NS/c1-2-8-6-4-3-5-7-6/h2-5,7H,1H2
InChIKeyWCXODKIRAHVPPG-UHFFFAOYSA-N
MW125.20 g/mol
LogP2.25
Rot. Bonds2

About 2-ethenylsulfanyl-1H-pyrrole

2-ethenylsulfanyl-1H-pyrrole (PubChem CID 45092670) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 2-ethenylsulfanyl-1H-pyrrole.

Molecular Properties

Compound Name2-ethenylsulfanyl-1H-pyrrole
PubChem CID45092670
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name2-ethenylsulfanyl-1H-pyrrole
SMILESC=CSc1ccc[nH]1
InChIInChI=1S/C6H7NS/c1-2-8-6-4-3-5-7-6/h2-5,7H,1H2
InChIKeyWCXODKIRAHVPPG-UHFFFAOYSA-N
XLogP2.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanyl-1H-pyrrole?
The IUPAC name of 2-ethenylsulfanyl-1H-pyrrole (CID 45092670) is 2-ethenylsulfanyl-1H-pyrrole.
What is the SMILES notation for 2-ethenylsulfanyl-1H-pyrrole?
The canonical SMILES for 2-ethenylsulfanyl-1H-pyrrole is C=CSc1ccc[nH]1.
What is the InChIKey of 2-ethenylsulfanyl-1H-pyrrole?
The InChIKey is WCXODKIRAHVPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c1-2-8-6-4-3-5-7-6/h2-5,7H,1H2.
What are the key properties of 2-ethenylsulfanyl-1H-pyrrole?
2-ethenylsulfanyl-1H-pyrrole has a molecular weight of 125.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanyl-1H-pyrrole is sourced from PubChem (CID 45092670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).