7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole

C11H13NOS2 — CID 10847606

IUPAC7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole
SMILESCSc1cccc2nc(OC(C)C)sc12
InChIInChI=1S/C11H13NOS2/c1-7(2)13-11-12-8-5-4-6-9(14-3)10(8)15-11/h4-7H,1-3H3
InChIKeyUQNOOKDISASKFV-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.81
Rot. Bonds3

About 7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole

7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole (PubChem CID 10847606) has the molecular formula C11H13NOS2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole.

Molecular Properties

Compound Name7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole
PubChem CID10847606
Molecular FormulaC11H13NOS2
Molecular Weight239.36 g/mol
Exact Mass239.04
IUPAC Name7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole
SMILESCSc1cccc2nc(OC(C)C)sc12
InChIInChI=1S/C11H13NOS2/c1-7(2)13-11-12-8-5-4-6-9(14-3)10(8)15-11/h4-7H,1-3H3
InChIKeyUQNOOKDISASKFV-UHFFFAOYSA-N
XLogP3.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole?
The IUPAC name of 7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole (CID 10847606) is 7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole.
What is the SMILES notation for 7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole?
The canonical SMILES for 7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole is CSc1cccc2nc(OC(C)C)sc12.
What is the InChIKey of 7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole?
The InChIKey is UQNOOKDISASKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS2/c1-7(2)13-11-12-8-5-4-6-9(14-3)10(8)15-11/h4-7H,1-3H3.
What are the key properties of 7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole?
7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole has a molecular weight of 239.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylsulfanyl-2-propan-2-yloxy-1,3-benzothiazole is sourced from PubChem (CID 10847606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).