5-methylsulfanyl-2H-pyrrole

C5H7NS — CID 123149328

IUPAC5-methylsulfanyl-2H-pyrrole
SMILESCSC1=NCC=C1
InChIInChI=1S/C5H7NS/c1-7-5-3-2-4-6-5/h2-3H,4H2,1H3
InChIKeyNHSDEEWCDMVIGS-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.32
Rot. Bonds

About 5-methylsulfanyl-2H-pyrrole

5-methylsulfanyl-2H-pyrrole (PubChem CID 123149328) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 5-methylsulfanyl-2H-pyrrole.

Molecular Properties

Compound Name5-methylsulfanyl-2H-pyrrole
PubChem CID123149328
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name5-methylsulfanyl-2H-pyrrole
SMILESCSC1=NCC=C1
InChIInChI=1S/C5H7NS/c1-7-5-3-2-4-6-5/h2-3H,4H2,1H3
InChIKeyNHSDEEWCDMVIGS-UHFFFAOYSA-N
XLogP1.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-2H-pyrrole?
The IUPAC name of 5-methylsulfanyl-2H-pyrrole (CID 123149328) is 5-methylsulfanyl-2H-pyrrole.
What is the SMILES notation for 5-methylsulfanyl-2H-pyrrole?
The canonical SMILES for 5-methylsulfanyl-2H-pyrrole is CSC1=NCC=C1.
What is the InChIKey of 5-methylsulfanyl-2H-pyrrole?
The InChIKey is NHSDEEWCDMVIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-7-5-3-2-4-6-5/h2-3H,4H2,1H3.
What are the key properties of 5-methylsulfanyl-2H-pyrrole?
5-methylsulfanyl-2H-pyrrole has a molecular weight of 113.18 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-2H-pyrrole is sourced from PubChem (CID 123149328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).