6-ethoxy-2-methylsulfinyl-1,3-benzothiazole

C10H11NO2S2 — CID 119089586

IUPAC6-ethoxy-2-methylsulfinyl-1,3-benzothiazole
SMILESCCOc1ccc2nc(S(C)=O)sc2c1
InChIInChI=1S/C10H11NO2S2/c1-3-13-7-4-5-8-9(6-7)14-10(11-8)15(2)12/h4-6H,3H2,1-2H3
InChIKeyRRHSSPJAKMIKOD-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.43
Rot. Bonds3

About 6-ethoxy-2-methylsulfinyl-1,3-benzothiazole

6-ethoxy-2-methylsulfinyl-1,3-benzothiazole (PubChem CID 119089586) has the molecular formula C10H11NO2S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 6-ethoxy-2-methylsulfinyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-ethoxy-2-methylsulfinyl-1,3-benzothiazole
PubChem CID119089586
Molecular FormulaC10H11NO2S2
Molecular Weight241.34 g/mol
Exact Mass241.02
IUPAC Name6-ethoxy-2-methylsulfinyl-1,3-benzothiazole
SMILESCCOc1ccc2nc(S(C)=O)sc2c1
InChIInChI=1S/C10H11NO2S2/c1-3-13-7-4-5-8-9(6-7)14-10(11-8)15(2)12/h4-6H,3H2,1-2H3
InChIKeyRRHSSPJAKMIKOD-UHFFFAOYSA-N
XLogP2.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-2-(2-ethoxyethylsulfinyl)-1,3-benzothiazole
CID 19094200
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
diethyl sulfate;6-ethoxy-2-methyl-1,3-benzothiazole
CID 157280824
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one
CID 11837258
6-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906844
N-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1-sulfonamide
CID 60640590
1-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 79518142
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 113308023
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 79511739
2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518172

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methylsulfinyl-1,3-benzothiazole?
The IUPAC name of 6-ethoxy-2-methylsulfinyl-1,3-benzothiazole (CID 119089586) is 6-ethoxy-2-methylsulfinyl-1,3-benzothiazole.
What is the SMILES notation for 6-ethoxy-2-methylsulfinyl-1,3-benzothiazole?
The canonical SMILES for 6-ethoxy-2-methylsulfinyl-1,3-benzothiazole is CCOc1ccc2nc(S(C)=O)sc2c1.
What is the InChIKey of 6-ethoxy-2-methylsulfinyl-1,3-benzothiazole?
The InChIKey is RRHSSPJAKMIKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S2/c1-3-13-7-4-5-8-9(6-7)14-10(11-8)15(2)12/h4-6H,3H2,1-2H3.
What are the key properties of 6-ethoxy-2-methylsulfinyl-1,3-benzothiazole?
6-ethoxy-2-methylsulfinyl-1,3-benzothiazole has a molecular weight of 241.34 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methylsulfinyl-1,3-benzothiazole is sourced from PubChem (CID 119089586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).