5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline

C9H9ClN2S — CID 130012752

IUPAC5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline
SMILESCSC1=NCc2c(Cl)cccc2N1
InChIInChI=1S/C9H9ClN2S/c1-13-9-11-5-6-7(10)3-2-4-8(6)12-9/h2-4H,5H2,1H3,(H,11,12)
InChIKeyXEKYVVYQTXOXPM-UHFFFAOYSA-N
MW212.71 g/mol
LogP2.98
Rot. Bonds

About 5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline

5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline (PubChem CID 130012752) has the molecular formula C9H9ClN2S and a molecular weight of 212.71 g/mol. Its IUPAC name is 5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline.

Molecular Properties

Compound Name5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline
PubChem CID130012752
Molecular FormulaC9H9ClN2S
Molecular Weight212.71 g/mol
Exact Mass212.02
IUPAC Name5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline
SMILESCSC1=NCc2c(Cl)cccc2N1
InChIInChI=1S/C9H9ClN2S/c1-13-9-11-5-6-7(10)3-2-4-8(6)12-9/h2-4H,5H2,1H3,(H,11,12)
InChIKeyXEKYVVYQTXOXPM-UHFFFAOYSA-N
XLogP2.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.71
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline?
The IUPAC name of 5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline (CID 130012752) is 5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline.
What is the SMILES notation for 5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline?
The canonical SMILES for 5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline is CSC1=NCc2c(Cl)cccc2N1.
What is the InChIKey of 5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline?
The InChIKey is XEKYVVYQTXOXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2S/c1-13-9-11-5-6-7(10)3-2-4-8(6)12-9/h2-4H,5H2,1H3,(H,11,12).
What are the key properties of 5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline?
5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline has a molecular weight of 212.71 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylsulfanyl-1,4-dihydroquinazoline is sourced from PubChem (CID 130012752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).