benzene;1H-quinoline-2-thione

C15H13NS — CID 158676150

IUPACbenzene;1H-quinoline-2-thione
SMILESS=c1ccc2ccccc2[nH]1.c1ccccc1
InChIInChI=1S/C9H7NS.C6H6/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2-4-6-5-3-1/h1-6H,(H,10,11);1-6H
InChIKeyIENWPERMZGLXOK-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.58
Rot. Bonds

About benzene;1H-quinoline-2-thione

benzene;1H-quinoline-2-thione (PubChem CID 158676150) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is benzene;1H-quinoline-2-thione.

Molecular Properties

Compound Namebenzene;1H-quinoline-2-thione
PubChem CID158676150
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Namebenzene;1H-quinoline-2-thione
SMILESS=c1ccc2ccccc2[nH]1.c1ccccc1
InChIInChI=1S/C9H7NS.C6H6/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2-4-6-5-3-1/h1-6H,(H,10,11);1-6H
InChIKeyIENWPERMZGLXOK-UHFFFAOYSA-N
XLogP4.58
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene;1H-quinoline-2-thione?
The IUPAC name of benzene;1H-quinoline-2-thione (CID 158676150) is benzene;1H-quinoline-2-thione.
What is the SMILES notation for benzene;1H-quinoline-2-thione?
The canonical SMILES for benzene;1H-quinoline-2-thione is S=c1ccc2ccccc2[nH]1.c1ccccc1.
What is the InChIKey of benzene;1H-quinoline-2-thione?
The InChIKey is IENWPERMZGLXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NS.C6H6/c11-9-6-5-7-3-1-2-4-8(7)10-9;1-2-4-6-5-3-1/h1-6H,(H,10,11);1-6H.
What are the key properties of benzene;1H-quinoline-2-thione?
benzene;1H-quinoline-2-thione has a molecular weight of 239.34 g/mol, XLogP of 4.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-quinoline-2-thione is sourced from PubChem (CID 158676150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).