2-phenylsulfanyl-2H-pyrrole

C10H9NS — CID 19800205

IUPAC2-phenylsulfanyl-2H-pyrrole
SMILESC1=CC(Sc2ccccc2)N=C1
InChIInChI=1S/C10H9NS/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8,10H
InChIKeyWOZVSRMJFUIFKR-UHFFFAOYSA-N
MW175.26 g/mol
LogP2.75
Rot. Bonds2

About 2-phenylsulfanyl-2H-pyrrole

2-phenylsulfanyl-2H-pyrrole (PubChem CID 19800205) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 2-phenylsulfanyl-2H-pyrrole.

Molecular Properties

Compound Name2-phenylsulfanyl-2H-pyrrole
PubChem CID19800205
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name2-phenylsulfanyl-2H-pyrrole
SMILESC1=CC(Sc2ccccc2)N=C1
InChIInChI=1S/C10H9NS/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8,10H
InChIKeyWOZVSRMJFUIFKR-UHFFFAOYSA-N
XLogP2.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-2H-pyrrole?
The IUPAC name of 2-phenylsulfanyl-2H-pyrrole (CID 19800205) is 2-phenylsulfanyl-2H-pyrrole.
What is the SMILES notation for 2-phenylsulfanyl-2H-pyrrole?
The canonical SMILES for 2-phenylsulfanyl-2H-pyrrole is C1=CC(Sc2ccccc2)N=C1.
What is the InChIKey of 2-phenylsulfanyl-2H-pyrrole?
The InChIKey is WOZVSRMJFUIFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-2-5-9(6-3-1)12-10-7-4-8-11-10/h1-8,10H.
What are the key properties of 2-phenylsulfanyl-2H-pyrrole?
2-phenylsulfanyl-2H-pyrrole has a molecular weight of 175.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-2H-pyrrole is sourced from PubChem (CID 19800205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).