2-ethylsulfanyl-6-methyl-1,3-benzothiazole

C10H11NS2 — CID 119093087

IUPAC2-ethylsulfanyl-6-methyl-1,3-benzothiazole
SMILESCCSc1nc2ccc(C)cc2s1
InChIInChI=1S/C10H11NS2/c1-3-12-10-11-8-5-4-7(2)6-9(8)13-10/h4-6H,3H2,1-2H3
InChIKeyMPQBOAHGHPAZPM-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.72
Rot. Bonds2

About 2-ethylsulfanyl-6-methyl-1,3-benzothiazole

2-ethylsulfanyl-6-methyl-1,3-benzothiazole (PubChem CID 119093087) has the molecular formula C10H11NS2 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-6-methyl-1,3-benzothiazole
PubChem CID119093087
Molecular FormulaC10H11NS2
Molecular Weight209.34 g/mol
Exact Mass209.03
IUPAC Name2-ethylsulfanyl-6-methyl-1,3-benzothiazole
SMILESCCSc1nc2ccc(C)cc2s1
InChIInChI=1S/C10H11NS2/c1-3-12-10-11-8-5-4-7(2)6-9(8)13-10/h4-6H,3H2,1-2H3
InChIKeyMPQBOAHGHPAZPM-UHFFFAOYSA-N
XLogP3.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 937848
2-ethylsulfanyl-1,3-benzothiazole-6-sulfonamide
CID 142682315
2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
2-ethylsulfanyl-N-[2-(4-methylphenyl)ethyl]-1,3-benzothiazole-6-sulfonamide
CID 142682264
6-ethyl-2-[(6-ethyl-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 18330964
6-chloro-2-ethylsulfanyl-[1,3]thiazolo[4,5-c]pyridine
CID 153382972
N-(4-acetylphenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 5302036
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866
2-fluoro-6-methyl-1,3-benzothiazole
CID 23270279
2-iodo-6-methyl-1,3-benzothiazole
CID 90078540
(6-methyl-1,3-benzothiazol-2-yl)methanethiol
CID 137419548
2-[(6-methyl-1,3-benzothiazol-2-yl)sulfanyl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143675185

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-ethylsulfanyl-6-methyl-1,3-benzothiazole (CID 119093087) is 2-ethylsulfanyl-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-ethylsulfanyl-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-ethylsulfanyl-6-methyl-1,3-benzothiazole is CCSc1nc2ccc(C)cc2s1.
What is the InChIKey of 2-ethylsulfanyl-6-methyl-1,3-benzothiazole?
The InChIKey is MPQBOAHGHPAZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NS2/c1-3-12-10-11-8-5-4-7(2)6-9(8)13-10/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-6-methyl-1,3-benzothiazole?
2-ethylsulfanyl-6-methyl-1,3-benzothiazole has a molecular weight of 209.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 119093087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).