2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine

C11H14N2O2S2 — CID 61367872

IUPAC2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine
SMILESCCOCCS(=O)c1nc2ccc(N)cc2s1
InChIInChI=1S/C11H14N2O2S2/c1-2-15-5-6-17(14)11-13-9-4-3-8(12)7-10(9)16-11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyFVHIJTGVKXNBOD-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.02
Rot. Bonds5

About 2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine

2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine (PubChem CID 61367872) has the molecular formula C11H14N2O2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine
PubChem CID61367872
Molecular FormulaC11H14N2O2S2
Molecular Weight270.38 g/mol
Exact Mass270.05
IUPAC Name2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine
SMILESCCOCCS(=O)c1nc2ccc(N)cc2s1
InChIInChI=1S/C11H14N2O2S2/c1-2-15-5-6-17(14)11-13-9-4-3-8(12)7-10(9)16-11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyFVHIJTGVKXNBOD-UHFFFAOYSA-N
XLogP2.02
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylpropoxy)ethylsulfinyl]-1,3-benzothiazol-6-amine
CID 106455863
6-ethoxy-2-(2-ethoxyethylsulfinyl)-1,3-benzothiazole
CID 19094200
2-[3-(2-methoxyethoxy)propylsulfinyl]-1,3-benzothiazol-6-amine
CID 103411788
2-hexylsulfinyl-1,3-benzothiazol-6-amine
CID 61367485
2-(3,3,3-trifluoropropylsulfinyl)-1,3-benzothiazol-6-amine
CID 64567997
2-(2-phenylsulfanylethylsulfinyl)-1,3-benzothiazol-6-amine
CID 79227632
2-(3-ethoxypropylsulfonyl)-1,3-benzothiazol-6-amine
CID 65180674
2-propan-2-ylsulfinyl-1,3-benzothiazol-6-amine
CID 61367097
2-[(2,6-difluorophenyl)methylsulfinyl]-1,3-benzothiazol-6-amine
CID 114933049
2-[(6-amino-1,3-benzothiazol-2-yl)sulfinyl]-N-butylacetamide
CID 61486047
2-[(2-chloro-4-methylphenyl)methylsulfinyl]-1,3-benzothiazol-6-amine
CID 106869139
N-(6-amino-1,3-benzothiazol-2-yl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61288036

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine?
The IUPAC name of 2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine (CID 61367872) is 2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine is CCOCCS(=O)c1nc2ccc(N)cc2s1.
What is the InChIKey of 2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine?
The InChIKey is FVHIJTGVKXNBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S2/c1-2-15-5-6-17(14)11-13-9-4-3-8(12)7-10(9)16-11/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine?
2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine has a molecular weight of 270.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfinyl)-1,3-benzothiazol-6-amine is sourced from PubChem (CID 61367872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).