5,8-dichloro-1H-quinazoline-4-thione

C8H4Cl2N2S — CID 107051749

IUPAC5,8-dichloro-1H-quinazoline-4-thione
SMILESS=c1nc[nH]c2c(Cl)ccc(Cl)c12
InChIInChI=1S/C8H4Cl2N2S/c9-4-1-2-5(10)7-6(4)8(13)12-3-11-7/h1-3H,(H,11,12,13)
InChIKeySNZSYUAYKJDVQY-UHFFFAOYSA-N
MW231.11 g/mol
LogP3.60
Rot. Bonds

About 5,8-dichloro-1H-quinazoline-4-thione

5,8-dichloro-1H-quinazoline-4-thione (PubChem CID 107051749) has the molecular formula C8H4Cl2N2S and a molecular weight of 231.11 g/mol. Its IUPAC name is 5,8-dichloro-1H-quinazoline-4-thione.

Molecular Properties

Compound Name5,8-dichloro-1H-quinazoline-4-thione
PubChem CID107051749
Molecular FormulaC8H4Cl2N2S
Molecular Weight231.11 g/mol
Exact Mass229.95
IUPAC Name5,8-dichloro-1H-quinazoline-4-thione
SMILESS=c1nc[nH]c2c(Cl)ccc(Cl)c12
InChIInChI=1S/C8H4Cl2N2S/c9-4-1-2-5(10)7-6(4)8(13)12-3-11-7/h1-3H,(H,11,12,13)
InChIKeySNZSYUAYKJDVQY-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,8-dichloro-1H-quinazoline-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-chloro-5-methyl-1H-quinazoline-4-thione
CID 106505701
3,7-dihydropurine-6-thione;platinum
CID 71358741
5,8-dichloro-2-methyl-1H-quinazoline-4-thione
CID 107051744
5,8-dichloro-2-ethyl-1H-quinazoline-4-thione
CID 107051759
7-chloro-3H-benzimidazol-4-amine
CID 130049323
5-chloro-8-methyl-3H-quinazolin-4-one
CID 136922473
4,7-dichloro-1H-indole-3-sulfonyl chloride
CID 82374063
6-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrimidine-4-thione
CID 106521056
7-(4-methylphenyl)-1,5-dihydropyrrolo[3,2-d]pyrimidine-4-thione
CID 95915720
3,4-dibromo-7-chloro-1H-indole
CID 178073407
6-(3-chlorothiophen-2-yl)-5-methoxy-1H-pyrimidine-4-thione
CID 107362481
5-chloro-8-methyl-1H-quinoline-4-thione
CID 50877749

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-1H-quinazoline-4-thione?
The IUPAC name of 5,8-dichloro-1H-quinazoline-4-thione (CID 107051749) is 5,8-dichloro-1H-quinazoline-4-thione.
What is the SMILES notation for 5,8-dichloro-1H-quinazoline-4-thione?
The canonical SMILES for 5,8-dichloro-1H-quinazoline-4-thione is S=c1nc[nH]c2c(Cl)ccc(Cl)c12.
What is the InChIKey of 5,8-dichloro-1H-quinazoline-4-thione?
The InChIKey is SNZSYUAYKJDVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2S/c9-4-1-2-5(10)7-6(4)8(13)12-3-11-7/h1-3H,(H,11,12,13).
What are the key properties of 5,8-dichloro-1H-quinazoline-4-thione?
5,8-dichloro-1H-quinazoline-4-thione has a molecular weight of 231.11 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-1H-quinazoline-4-thione is sourced from PubChem (CID 107051749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).