7-methylsulfanylquinazoline

C9H8N2S — CID 89470405

IUPAC7-methylsulfanylquinazoline
SMILESCSc1ccc2cncnc2c1
InChIInChI=1S/C9H8N2S/c1-12-8-3-2-7-5-10-6-11-9(7)4-8/h2-6H,1H3
InChIKeyKRSNZMNXHFNDCP-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.35
Rot. Bonds1

About 7-methylsulfanylquinazoline

7-methylsulfanylquinazoline (PubChem CID 89470405) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 7-methylsulfanylquinazoline.

Molecular Properties

Compound Name7-methylsulfanylquinazoline
PubChem CID89470405
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name7-methylsulfanylquinazoline
SMILESCSc1ccc2cncnc2c1
InChIInChI=1S/C9H8N2S/c1-12-8-3-2-7-5-10-6-11-9(7)4-8/h2-6H,1H3
InChIKeyKRSNZMNXHFNDCP-UHFFFAOYSA-N
XLogP2.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanylquinazoline?
The IUPAC name of 7-methylsulfanylquinazoline (CID 89470405) is 7-methylsulfanylquinazoline.
What is the SMILES notation for 7-methylsulfanylquinazoline?
The canonical SMILES for 7-methylsulfanylquinazoline is CSc1ccc2cncnc2c1.
What is the InChIKey of 7-methylsulfanylquinazoline?
The InChIKey is KRSNZMNXHFNDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-12-8-3-2-7-5-10-6-11-9(7)4-8/h2-6H,1H3.
What are the key properties of 7-methylsulfanylquinazoline?
7-methylsulfanylquinazoline has a molecular weight of 176.24 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanylquinazoline is sourced from PubChem (CID 89470405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).