7-propan-2-yl-1H-quinoline-4-thione

C12H13NS — CID 19075128

IUPAC7-propan-2-yl-1H-quinoline-4-thione
SMILESCC(C)c1ccc2c(=S)cc[nH]c2c1
InChIInChI=1S/C12H13NS/c1-8(2)9-3-4-10-11(7-9)13-6-5-12(10)14/h3-8H,1-2H3,(H,13,14)
InChIKeyBICJDOALRASAKT-UHFFFAOYSA-N
MW203.31 g/mol
LogP4.02
Rot. Bonds1

About 7-propan-2-yl-1H-quinoline-4-thione

7-propan-2-yl-1H-quinoline-4-thione (PubChem CID 19075128) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 7-propan-2-yl-1H-quinoline-4-thione.

Molecular Properties

Compound Name7-propan-2-yl-1H-quinoline-4-thione
PubChem CID19075128
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name7-propan-2-yl-1H-quinoline-4-thione
SMILESCC(C)c1ccc2c(=S)cc[nH]c2c1
InChIInChI=1S/C12H13NS/c1-8(2)9-3-4-10-11(7-9)13-6-5-12(10)14/h3-8H,1-2H3,(H,13,14)
InChIKeyBICJDOALRASAKT-UHFFFAOYSA-N
XLogP4.02
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 54.02
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 7-propan-2-yl-1H-quinoline-4-thione?
The IUPAC name of 7-propan-2-yl-1H-quinoline-4-thione (CID 19075128) is 7-propan-2-yl-1H-quinoline-4-thione.
What is the SMILES notation for 7-propan-2-yl-1H-quinoline-4-thione?
The canonical SMILES for 7-propan-2-yl-1H-quinoline-4-thione is CC(C)c1ccc2c(=S)cc[nH]c2c1.
What is the InChIKey of 7-propan-2-yl-1H-quinoline-4-thione?
The InChIKey is BICJDOALRASAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-8(2)9-3-4-10-11(7-9)13-6-5-12(10)14/h3-8H,1-2H3,(H,13,14).
What are the key properties of 7-propan-2-yl-1H-quinoline-4-thione?
7-propan-2-yl-1H-quinoline-4-thione has a molecular weight of 203.31 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1H-quinoline-4-thione is sourced from PubChem (CID 19075128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).