7-chloro-1,3-dimethylquinoline-2-thione

C11H10ClNS — CID 150360168

IUPAC7-chloro-1,3-dimethylquinoline-2-thione
SMILESCc1cc2ccc(Cl)cc2n(C)c1=S
InChIInChI=1S/C11H10ClNS/c1-7-5-8-3-4-9(12)6-10(8)13(2)11(7)14/h3-6H,1-2H3
InChIKeyGVNYCAVJHHYJJV-UHFFFAOYSA-N
MW223.73 g/mol
LogP3.87
Rot. Bonds

About 7-chloro-1,3-dimethylquinoline-2-thione

7-chloro-1,3-dimethylquinoline-2-thione (PubChem CID 150360168) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is 7-chloro-1,3-dimethylquinoline-2-thione.

Molecular Properties

Compound Name7-chloro-1,3-dimethylquinoline-2-thione
PubChem CID150360168
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC Name7-chloro-1,3-dimethylquinoline-2-thione
SMILESCc1cc2ccc(Cl)cc2n(C)c1=S
InChIInChI=1S/C11H10ClNS/c1-7-5-8-3-4-9(12)6-10(8)13(2)11(7)14/h3-6H,1-2H3
InChIKeyGVNYCAVJHHYJJV-UHFFFAOYSA-N
XLogP3.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-1,3-dimethylquinoline-2-thione?
The IUPAC name of 7-chloro-1,3-dimethylquinoline-2-thione (CID 150360168) is 7-chloro-1,3-dimethylquinoline-2-thione.
What is the SMILES notation for 7-chloro-1,3-dimethylquinoline-2-thione?
The canonical SMILES for 7-chloro-1,3-dimethylquinoline-2-thione is Cc1cc2ccc(Cl)cc2n(C)c1=S.
What is the InChIKey of 7-chloro-1,3-dimethylquinoline-2-thione?
The InChIKey is GVNYCAVJHHYJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS/c1-7-5-8-3-4-9(12)6-10(8)13(2)11(7)14/h3-6H,1-2H3.
What are the key properties of 7-chloro-1,3-dimethylquinoline-2-thione?
7-chloro-1,3-dimethylquinoline-2-thione has a molecular weight of 223.73 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,3-dimethylquinoline-2-thione is sourced from PubChem (CID 150360168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).