2-methylsulfanyl-3-phenylquinazoline-4-thione

C15H12N2S2 — CID 25020236

IUPAC2-methylsulfanyl-3-phenylquinazoline-4-thione
SMILESCSc1nc2ccccc2c(=S)n1-c1ccccc1
InChIInChI=1S/C15H12N2S2/c1-19-15-16-13-10-6-5-9-12(13)14(18)17(15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyZBUJNSDCOMAQRL-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.48
Rot. Bonds2

About 2-methylsulfanyl-3-phenylquinazoline-4-thione

2-methylsulfanyl-3-phenylquinazoline-4-thione (PubChem CID 25020236) has the molecular formula C15H12N2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2-methylsulfanyl-3-phenylquinazoline-4-thione.

Molecular Properties

Compound Name2-methylsulfanyl-3-phenylquinazoline-4-thione
PubChem CID25020236
Molecular FormulaC15H12N2S2
Molecular Weight284.41 g/mol
Exact Mass284.04
IUPAC Name2-methylsulfanyl-3-phenylquinazoline-4-thione
SMILESCSc1nc2ccccc2c(=S)n1-c1ccccc1
InChIInChI=1S/C15H12N2S2/c1-19-15-16-13-10-6-5-9-12(13)14(18)17(15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKeyZBUJNSDCOMAQRL-UHFFFAOYSA-N
XLogP4.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methylsulfanyl-3-phenylquinazoline-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

2-Phenylquinazoline-4(1H)-thione
CID 838258
N-Phenyl-4H-3,1-benzothiazin-2-amine
CID 2998436
2-Benzyl-4-quinazolinethiol
CID 806173
2-benzylsulfanyl-1H-quinazoline-4-thione
CID 833786
(4H-Benzo[d][1,3]thiazin-2-yl)-p-tolyl-amine
CID 2999727
3-phenyl-4H-quinazoline;hydrochloride
CID 15945624
(4H-Benzo[d][1,3]thiazin-2-yl)-o-tolyl-amine
CID 135413417
3-(2,6-Difluorophenyl)-2-methylsulfanylquinazoline-4-thione
CID 24905352
3-(2-Bromophenyl)-2-methylsulfanylquinazoline-4-thione
CID 25020295
3-Methyl-4(3H)-quinazolinethione
CID 261671
(3,4-Diphenyl-3H-thiazol-2-ylidene)-phenyl-amine
CID 725578
2-{[2-(diethylamino)ethyl]thio}-3-phenylquinazoline-4(3H)-thione
CID 16188407

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-phenylquinazoline-4-thione?
The IUPAC name of 2-methylsulfanyl-3-phenylquinazoline-4-thione (CID 25020236) is 2-methylsulfanyl-3-phenylquinazoline-4-thione.
What is the SMILES notation for 2-methylsulfanyl-3-phenylquinazoline-4-thione?
The canonical SMILES for 2-methylsulfanyl-3-phenylquinazoline-4-thione is CSc1nc2ccccc2c(=S)n1-c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-3-phenylquinazoline-4-thione?
The InChIKey is ZBUJNSDCOMAQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S2/c1-19-15-16-13-10-6-5-9-12(13)14(18)17(15)11-7-3-2-4-8-11/h2-10H,1H3.
What are the key properties of 2-methylsulfanyl-3-phenylquinazoline-4-thione?
2-methylsulfanyl-3-phenylquinazoline-4-thione has a molecular weight of 284.41 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-phenylquinazoline-4-thione is sourced from PubChem (CID 25020236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).