3,6-dimethyl-2,1-benzothiazole;ethane

C11H15NS — CID 142266347

IUPAC3,6-dimethyl-2,1-benzothiazole;ethane
SMILESCC.Cc1ccc2c(C)snc2c1
InChIInChI=1S/C9H9NS.C2H6/c1-6-3-4-8-7(2)11-10-9(8)5-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyXWHBUYXLAJUDRC-UHFFFAOYSA-N
MW193.31 g/mol
LogP3.94
Rot. Bonds

About 3,6-dimethyl-2,1-benzothiazole;ethane

3,6-dimethyl-2,1-benzothiazole;ethane (PubChem CID 142266347) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 3,6-dimethyl-2,1-benzothiazole;ethane.

Molecular Properties

Compound Name3,6-dimethyl-2,1-benzothiazole;ethane
PubChem CID142266347
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name3,6-dimethyl-2,1-benzothiazole;ethane
SMILESCC.Cc1ccc2c(C)snc2c1
InChIInChI=1S/C9H9NS.C2H6/c1-6-3-4-8-7(2)11-10-9(8)5-6;1-2/h3-5H,1-2H3;1-2H3
InChIKeyXWHBUYXLAJUDRC-UHFFFAOYSA-N
XLogP3.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5,6-trimethyl-2,1-benzothiazole
CID 59197119
3,5-dimethyl-1,2-benzothiazole;ethane
CID 142044862
ethane;2,3,7-trimethylquinazolin-4-one
CID 177158450
3,5-dimethyl-1,2-benzothiazole
CID 14145205
2,7-dimethylphenanthrene;ethane
CID 91503011
9-tert-butyl-3,6-dimethylacridine
CID 159242363
methane;3-methylbenzo[c]cinnoline
CID 157102255
4,7-dimethylcinnoline
CID 59539244
ethane;5-methyl-2H-benzotriazole
CID 91594051
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
3-fluoro-8-methylbenzo[f][1,7]naphthyridine
CID 141377178
2,9-dimethylbenzo[c]cinnoline
CID 14472808

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,1-benzothiazole;ethane?
The IUPAC name of 3,6-dimethyl-2,1-benzothiazole;ethane (CID 142266347) is 3,6-dimethyl-2,1-benzothiazole;ethane.
What is the SMILES notation for 3,6-dimethyl-2,1-benzothiazole;ethane?
The canonical SMILES for 3,6-dimethyl-2,1-benzothiazole;ethane is CC.Cc1ccc2c(C)snc2c1.
What is the InChIKey of 3,6-dimethyl-2,1-benzothiazole;ethane?
The InChIKey is XWHBUYXLAJUDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS.C2H6/c1-6-3-4-8-7(2)11-10-9(8)5-6;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of 3,6-dimethyl-2,1-benzothiazole;ethane?
3,6-dimethyl-2,1-benzothiazole;ethane has a molecular weight of 193.31 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,1-benzothiazole;ethane is sourced from PubChem (CID 142266347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).