2-propylsulfanyl-1H-pyrrole

C7H11NS — CID 10953610

IUPAC2-propylsulfanyl-1H-pyrrole
SMILESCCCSc1ccc[nH]1
InChIInChI=1S/C7H11NS/c1-2-6-9-7-4-3-5-8-7/h3-5,8H,2,6H2,1H3
InChIKeyTWPRWSPUSCHGBD-UHFFFAOYSA-N
MW141.24 g/mol
LogP2.52
Rot. Bonds3

About 2-propylsulfanyl-1H-pyrrole

2-propylsulfanyl-1H-pyrrole (PubChem CID 10953610) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 2-propylsulfanyl-1H-pyrrole.

Molecular Properties

Compound Name2-propylsulfanyl-1H-pyrrole
PubChem CID10953610
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name2-propylsulfanyl-1H-pyrrole
SMILESCCCSc1ccc[nH]1
InChIInChI=1S/C7H11NS/c1-2-6-9-7-4-3-5-8-7/h3-5,8H,2,6H2,1H3
InChIKeyTWPRWSPUSCHGBD-UHFFFAOYSA-N
XLogP2.52
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propylsulfanyl-1H-pyrrole?
The IUPAC name of 2-propylsulfanyl-1H-pyrrole (CID 10953610) is 2-propylsulfanyl-1H-pyrrole.
What is the SMILES notation for 2-propylsulfanyl-1H-pyrrole?
The canonical SMILES for 2-propylsulfanyl-1H-pyrrole is CCCSc1ccc[nH]1.
What is the InChIKey of 2-propylsulfanyl-1H-pyrrole?
The InChIKey is TWPRWSPUSCHGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-6-9-7-4-3-5-8-7/h3-5,8H,2,6H2,1H3.
What are the key properties of 2-propylsulfanyl-1H-pyrrole?
2-propylsulfanyl-1H-pyrrole has a molecular weight of 141.24 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylsulfanyl-1H-pyrrole is sourced from PubChem (CID 10953610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).