4-(2-methylsulfanylphenyl)-3H-pyrrole

C11H11NS — CID 58294126

IUPAC4-(2-methylsulfanylphenyl)-3H-pyrrole
SMILESCSc1ccccc1C1=CN=CC1
InChIInChI=1S/C11H11NS/c1-13-11-5-3-2-4-10(11)9-6-7-12-8-9/h2-5,7-8H,6H2,1H3
InChIKeyGNKZGHVUGFXQIP-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.22
Rot. Bonds2

About 4-(2-methylsulfanylphenyl)-3H-pyrrole

4-(2-methylsulfanylphenyl)-3H-pyrrole (PubChem CID 58294126) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 4-(2-methylsulfanylphenyl)-3H-pyrrole.

Molecular Properties

Compound Name4-(2-methylsulfanylphenyl)-3H-pyrrole
PubChem CID58294126
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name4-(2-methylsulfanylphenyl)-3H-pyrrole
SMILESCSc1ccccc1C1=CN=CC1
InChIInChI=1S/C11H11NS/c1-13-11-5-3-2-4-10(11)9-6-7-12-8-9/h2-5,7-8H,6H2,1H3
InChIKeyGNKZGHVUGFXQIP-UHFFFAOYSA-N
XLogP3.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylphenyl)-3H-pyrrole?
The IUPAC name of 4-(2-methylsulfanylphenyl)-3H-pyrrole (CID 58294126) is 4-(2-methylsulfanylphenyl)-3H-pyrrole.
What is the SMILES notation for 4-(2-methylsulfanylphenyl)-3H-pyrrole?
The canonical SMILES for 4-(2-methylsulfanylphenyl)-3H-pyrrole is CSc1ccccc1C1=CN=CC1.
What is the InChIKey of 4-(2-methylsulfanylphenyl)-3H-pyrrole?
The InChIKey is GNKZGHVUGFXQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-13-11-5-3-2-4-10(11)9-6-7-12-8-9/h2-5,7-8H,6H2,1H3.
What are the key properties of 4-(2-methylsulfanylphenyl)-3H-pyrrole?
4-(2-methylsulfanylphenyl)-3H-pyrrole has a molecular weight of 189.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylphenyl)-3H-pyrrole is sourced from PubChem (CID 58294126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).