2-methylsulfanyl-3H-pyrrole

C5H7NS — CID 20668492

IUPAC2-methylsulfanyl-3H-pyrrole
SMILESCSC1=NC=CC1
InChIInChI=1S/C5H7NS/c1-7-5-3-2-4-6-5/h2,4H,3H2,1H3
InChIKeyVIESVBQJKWSQHZ-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.67
Rot. Bonds

About 2-methylsulfanyl-3H-pyrrole

2-methylsulfanyl-3H-pyrrole (PubChem CID 20668492) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 2-methylsulfanyl-3H-pyrrole.

Molecular Properties

Compound Name2-methylsulfanyl-3H-pyrrole
PubChem CID20668492
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name2-methylsulfanyl-3H-pyrrole
SMILESCSC1=NC=CC1
InChIInChI=1S/C5H7NS/c1-7-5-3-2-4-6-5/h2,4H,3H2,1H3
InChIKeyVIESVBQJKWSQHZ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3H-pyrrole?
The IUPAC name of 2-methylsulfanyl-3H-pyrrole (CID 20668492) is 2-methylsulfanyl-3H-pyrrole.
What is the SMILES notation for 2-methylsulfanyl-3H-pyrrole?
The canonical SMILES for 2-methylsulfanyl-3H-pyrrole is CSC1=NC=CC1.
What is the InChIKey of 2-methylsulfanyl-3H-pyrrole?
The InChIKey is VIESVBQJKWSQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-7-5-3-2-4-6-5/h2,4H,3H2,1H3.
What are the key properties of 2-methylsulfanyl-3H-pyrrole?
2-methylsulfanyl-3H-pyrrole has a molecular weight of 113.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3H-pyrrole is sourced from PubChem (CID 20668492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).