5,8-dichloro-2-ethyl-1H-quinazoline-4-thione

C10H8Cl2N2S — CID 107051759

IUPAC5,8-dichloro-2-ethyl-1H-quinazoline-4-thione
SMILESCCc1nc(=S)c2c(Cl)ccc(Cl)c2[nH]1
InChIInChI=1S/C10H8Cl2N2S/c1-2-7-13-9-6(12)4-3-5(11)8(9)10(15)14-7/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyWUGCTKINUGBFNE-UHFFFAOYSA-N
MW259.16 g/mol
LogP4.16
Rot. Bonds1

About 5,8-dichloro-2-ethyl-1H-quinazoline-4-thione

5,8-dichloro-2-ethyl-1H-quinazoline-4-thione (PubChem CID 107051759) has the molecular formula C10H8Cl2N2S and a molecular weight of 259.16 g/mol. Its IUPAC name is 5,8-dichloro-2-ethyl-1H-quinazoline-4-thione.

Molecular Properties

Compound Name5,8-dichloro-2-ethyl-1H-quinazoline-4-thione
PubChem CID107051759
Molecular FormulaC10H8Cl2N2S
Molecular Weight259.16 g/mol
Exact Mass257.98
IUPAC Name5,8-dichloro-2-ethyl-1H-quinazoline-4-thione
SMILESCCc1nc(=S)c2c(Cl)ccc(Cl)c2[nH]1
InChIInChI=1S/C10H8Cl2N2S/c1-2-7-13-9-6(12)4-3-5(11)8(9)10(15)14-7/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyWUGCTKINUGBFNE-UHFFFAOYSA-N
XLogP4.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,8-dichloro-2-methyl-1H-quinazoline-4-thione
CID 107051744
2-ethyl-8-fluoro-1H-quinazoline-4-thione
CID 106505547
6-(4-chloro-3-methoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106518971
5,8-dichloro-1H-quinazoline-4-thione
CID 107051749
2-ethyl-6-fluoro-8-methyl-1H-quinazoline-4-thione
CID 106505502
6-(2,5-dichlorophenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106514926
2-ethyl-5-methyl-6-pyridin-4-yl-1H-pyrimidine-4-thione
CID 106515497
6-(2,3-dichlorophenyl)-2-ethyl-1H-pyrimidine-4-thione
CID 106514071
2-ethyl-7-iodo-1H-imidazo[4,5-b]pyridine
CID 66890985
6,7-diethoxy-2-ethyl-1H-quinazoline-4-thione
CID 106505560
2-[(4-chlorophenyl)methyl]-6-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106478260
6-(5-chloro-2-methoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106514723

Frequently Asked Questions

What is the IUPAC name of 5,8-dichloro-2-ethyl-1H-quinazoline-4-thione?
The IUPAC name of 5,8-dichloro-2-ethyl-1H-quinazoline-4-thione (CID 107051759) is 5,8-dichloro-2-ethyl-1H-quinazoline-4-thione.
What is the SMILES notation for 5,8-dichloro-2-ethyl-1H-quinazoline-4-thione?
The canonical SMILES for 5,8-dichloro-2-ethyl-1H-quinazoline-4-thione is CCc1nc(=S)c2c(Cl)ccc(Cl)c2[nH]1.
What is the InChIKey of 5,8-dichloro-2-ethyl-1H-quinazoline-4-thione?
The InChIKey is WUGCTKINUGBFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2S/c1-2-7-13-9-6(12)4-3-5(11)8(9)10(15)14-7/h3-4H,2H2,1H3,(H,13,14,15).
What are the key properties of 5,8-dichloro-2-ethyl-1H-quinazoline-4-thione?
5,8-dichloro-2-ethyl-1H-quinazoline-4-thione has a molecular weight of 259.16 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dichloro-2-ethyl-1H-quinazoline-4-thione is sourced from PubChem (CID 107051759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).