4,8-dimethyl-1H-quinoline-2-thione

C11H11NS — CID 2118128

IUPAC4,8-dimethyl-1H-quinoline-2-thione
SMILESCc1cc(=S)[nH]c2c(C)cccc12
InChIInChI=1S/C11H11NS/c1-7-4-3-5-9-8(2)6-10(13)12-11(7)9/h3-6H,1-2H3,(H,12,13)
InChIKeyIDKGGDCCFSDICC-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.51
Rot. Bonds

About 4,8-dimethyl-1H-quinoline-2-thione

4,8-dimethyl-1H-quinoline-2-thione (PubChem CID 2118128) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 4,8-dimethyl-1H-quinoline-2-thione.

Molecular Properties

Compound Name4,8-dimethyl-1H-quinoline-2-thione
PubChem CID2118128
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name4,8-dimethyl-1H-quinoline-2-thione
SMILESCc1cc(=S)[nH]c2c(C)cccc12
InChIInChI=1S/C11H11NS/c1-7-4-3-5-9-8(2)6-10(13)12-11(7)9/h3-6H,1-2H3,(H,12,13)
InChIKeyIDKGGDCCFSDICC-UHFFFAOYSA-N
XLogP3.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,6,8-trimethyl-1H-quinoline-2-thione
CID 2442311
2,8-dimethyl-1H-quinazoline-4-thione
CID 106505540
8-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 115021368
4-amino-8-methyl-1H-quinolin-2-one
CID 14627645
2-tert-butyl-3,7-dimethyl-1H-indole
CID 59397804
2-iodo-5-methyl-10H-acridin-9-one
CID 59228699
1-(3-bromo-7-methyl-1H-indol-2-yl)-N-methylmethanamine
CID 84634869
1,5-dimethylnaphthalene
CID 162159355
3,7-dimethyl-1H-indole-2-carboxylic acid;ethane
CID 145321259
1-(2,7-dimethyl-1H-indol-3-yl)cyclopropane-1-carboxylic acid
CID 82278474
3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867577
6-methoxy-4-methyl-1H-quinoline-2-thione
CID 935963

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-1H-quinoline-2-thione?
The IUPAC name of 4,8-dimethyl-1H-quinoline-2-thione (CID 2118128) is 4,8-dimethyl-1H-quinoline-2-thione.
What is the SMILES notation for 4,8-dimethyl-1H-quinoline-2-thione?
The canonical SMILES for 4,8-dimethyl-1H-quinoline-2-thione is Cc1cc(=S)[nH]c2c(C)cccc12.
What is the InChIKey of 4,8-dimethyl-1H-quinoline-2-thione?
The InChIKey is IDKGGDCCFSDICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-7-4-3-5-9-8(2)6-10(13)12-11(7)9/h3-6H,1-2H3,(H,12,13).
What are the key properties of 4,8-dimethyl-1H-quinoline-2-thione?
4,8-dimethyl-1H-quinoline-2-thione has a molecular weight of 189.28 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-1H-quinoline-2-thione is sourced from PubChem (CID 2118128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).