6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole

C11H12ClNOS2 — CID 19806340

IUPAC6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole
SMILESCCOCCSc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C11H12ClNOS2/c1-2-14-5-6-15-11-13-9-4-3-8(12)7-10(9)16-11/h3-4,7H,2,5-6H2,1H3
InChIKeyMUWUITRLZNESKD-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.08
Rot. Bonds5

About 6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole

6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole (PubChem CID 19806340) has the molecular formula C11H12ClNOS2 and a molecular weight of 273.81 g/mol. Its IUPAC name is 6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole
PubChem CID19806340
Molecular FormulaC11H12ClNOS2
Molecular Weight273.81 g/mol
Exact Mass273.00
IUPAC Name6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole
SMILESCCOCCSc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C11H12ClNOS2/c1-2-14-5-6-15-11-13-9-4-3-8(12)7-10(9)16-11/h3-4,7H,2,5-6H2,1H3
InChIKeyMUWUITRLZNESKD-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2-ethoxyethyl)-1,3-benzothiazol-2-amine
CID 79529020
2-ethylsulfanyl-6-methyl-1,3-benzothiazole
CID 119093087
N-(2-butoxyethyl)-6-chloro-1,3-benzothiazol-2-amine
CID 79526073
2-butylsulfanyl-1,3-benzothiazol-6-amine
CID 3101507
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
2-[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethylamino]ethanol
CID 2102091
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762
N-(4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 3657089
2-[(5-chloro-2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine
CID 103049424
3-[(6-propoxy-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid
CID 82192417
N-(4-chloro-2-fluorophenyl)-2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682266
6-chloro-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79526174

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole (CID 19806340) is 6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole is CCOCCSc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole?
The InChIKey is MUWUITRLZNESKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNOS2/c1-2-14-5-6-15-11-13-9-4-3-8(12)7-10(9)16-11/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole?
6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole has a molecular weight of 273.81 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-ethoxyethylsulfanyl)-1,3-benzothiazole is sourced from PubChem (CID 19806340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).