pyridine;1H-pyrrole;sulfane

C9H12N2S — CID 174701148

IUPACpyridine;1H-pyrrole;sulfane
SMILESS.c1cc[nH]c1.c1ccncc1
InChIInChI=1S/C5H5N.C4H5N.H2S/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-5H;1-5H;1H2
InChIKeyJPBHVKBONFPADJ-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.21
Rot. Bonds

About pyridine;1H-pyrrole;sulfane

pyridine;1H-pyrrole;sulfane (PubChem CID 174701148) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is pyridine;1H-pyrrole;sulfane.

Molecular Properties

Compound Namepyridine;1H-pyrrole;sulfane
PubChem CID174701148
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Namepyridine;1H-pyrrole;sulfane
SMILESS.c1cc[nH]c1.c1ccncc1
InChIInChI=1S/C5H5N.C4H5N.H2S/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-5H;1-5H;1H2
InChIKeyJPBHVKBONFPADJ-UHFFFAOYSA-N
XLogP2.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pyridine;1H-pyrrole;sulfane?
The IUPAC name of pyridine;1H-pyrrole;sulfane (CID 174701148) is pyridine;1H-pyrrole;sulfane.
What is the SMILES notation for pyridine;1H-pyrrole;sulfane?
The canonical SMILES for pyridine;1H-pyrrole;sulfane is S.c1cc[nH]c1.c1ccncc1.
What is the InChIKey of pyridine;1H-pyrrole;sulfane?
The InChIKey is JPBHVKBONFPADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H5N.H2S/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-5H;1-5H;1H2.
What are the key properties of pyridine;1H-pyrrole;sulfane?
pyridine;1H-pyrrole;sulfane has a molecular weight of 180.28 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;1H-pyrrole;sulfane is sourced from PubChem (CID 174701148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).