pyridine;styrene;sulfane

C13H15NS — CID 174934116

IUPACpyridine;styrene;sulfane
SMILESC=Cc1ccccc1.S.c1ccncc1
InChIInChI=1S/C8H8.C5H5N.H2S/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;/h2-7H,1H2;1-5H;1H2
InChIKeyDSDMFHQFDVSSFW-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.52
Rot. Bonds1

About pyridine;styrene;sulfane

pyridine;styrene;sulfane (PubChem CID 174934116) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is pyridine;styrene;sulfane.

Molecular Properties

Compound Namepyridine;styrene;sulfane
PubChem CID174934116
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Namepyridine;styrene;sulfane
SMILESC=Cc1ccccc1.S.c1ccncc1
InChIInChI=1S/C8H8.C5H5N.H2S/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;/h2-7H,1H2;1-5H;1H2
InChIKeyDSDMFHQFDVSSFW-UHFFFAOYSA-N
XLogP3.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pyridine;styrene;sulfane?
The IUPAC name of pyridine;styrene;sulfane (CID 174934116) is pyridine;styrene;sulfane.
What is the SMILES notation for pyridine;styrene;sulfane?
The canonical SMILES for pyridine;styrene;sulfane is C=Cc1ccccc1.S.c1ccncc1.
What is the InChIKey of pyridine;styrene;sulfane?
The InChIKey is DSDMFHQFDVSSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C5H5N.H2S/c1-2-8-6-4-3-5-7-8;1-2-4-6-5-3-1;/h2-7H,1H2;1-5H;1H2.
What are the key properties of pyridine;styrene;sulfane?
pyridine;styrene;sulfane has a molecular weight of 217.34 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyridine;styrene;sulfane is sourced from PubChem (CID 174934116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).