4-chloro-2-methylsulfanylquinazoline

C9H7ClN2S — CID 11052932

IUPAC4-chloro-2-methylsulfanylquinazoline
SMILESCSc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C9H7ClN2S/c1-13-9-11-7-5-3-2-4-6(7)8(10)12-9/h2-5H,1H3
InChIKeyTUXSOCFQUJMNEG-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.01
Rot. Bonds1

About 4-chloro-2-methylsulfanylquinazoline

4-chloro-2-methylsulfanylquinazoline (PubChem CID 11052932) has the molecular formula C9H7ClN2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanylquinazoline.

Molecular Properties

Compound Name4-chloro-2-methylsulfanylquinazoline
PubChem CID11052932
Molecular FormulaC9H7ClN2S
Molecular Weight210.69 g/mol
Exact Mass210.00
IUPAC Name4-chloro-2-methylsulfanylquinazoline
SMILESCSc1nc(Cl)c2ccccc2n1
InChIInChI=1S/C9H7ClN2S/c1-13-9-11-7-5-3-2-4-6(7)8(10)12-9/h2-5H,1H3
InChIKeyTUXSOCFQUJMNEG-UHFFFAOYSA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 65087
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CID 345657
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CID 205130
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CID 78864
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CID 598255
CID 598255
CID 269325
CID 269325
CID 252879
CID 252879
CID 256219
CID 256219
CID 618704
CID 618704
CID 80977
CID 80977
CID 24746808
CID 24746808
CID 700615
CID 700615

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanylquinazoline?
The IUPAC name of 4-chloro-2-methylsulfanylquinazoline (CID 11052932) is 4-chloro-2-methylsulfanylquinazoline.
What is the SMILES notation for 4-chloro-2-methylsulfanylquinazoline?
The canonical SMILES for 4-chloro-2-methylsulfanylquinazoline is CSc1nc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-2-methylsulfanylquinazoline?
The InChIKey is TUXSOCFQUJMNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S/c1-13-9-11-7-5-3-2-4-6(7)8(10)12-9/h2-5H,1H3.
What are the key properties of 4-chloro-2-methylsulfanylquinazoline?
4-chloro-2-methylsulfanylquinazoline has a molecular weight of 210.69 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanylquinazoline is sourced from PubChem (CID 11052932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).