2-methyl-5-methylsulfanyl-1,3-benzothiazole

C9H9NS2 — CID 10954473

IUPAC2-methyl-5-methylsulfanyl-1,3-benzothiazole
SMILESCSc1ccc2sc(C)nc2c1
InChIInChI=1S/C9H9NS2/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3
InChIKeyDKCBZKUWJRXHQW-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.33
Rot. Bonds1

About 2-methyl-5-methylsulfanyl-1,3-benzothiazole

2-methyl-5-methylsulfanyl-1,3-benzothiazole (PubChem CID 10954473) has the molecular formula C9H9NS2 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-1,3-benzothiazole
PubChem CID10954473
Molecular FormulaC9H9NS2
Molecular Weight195.31 g/mol
Exact Mass195.02
IUPAC Name2-methyl-5-methylsulfanyl-1,3-benzothiazole
SMILESCSc1ccc2sc(C)nc2c1
InChIInChI=1S/C9H9NS2/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3
InChIKeyDKCBZKUWJRXHQW-UHFFFAOYSA-N
XLogP3.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
2-methyl-5-[(S)-methylsulfinyl]-1,3-benzothiazole
CID 94044690
(2-methyl-1,3-benzothiazol-6-yl) thiocyanate
CID 15147661
5-(chloromethyl)-2-methyl-1,3-benzothiazole
CID 2315866
ethane;5-methoxy-2-methyl-1,3-benzothiazole
CID 142881099
4-(2-methyl-1,3-benzothiazol-5-yl)aniline
CID 59283005
2-methyl-5-[(1R)-1-[4-(5-methylsulfanylpyrimidin-2-yl)piperazin-1-yl]ethyl]-1,3-benzothiazole
CID 156777332
2-methyl-5-pyrimidin-5-yloxy-1,3-benzothiazole
CID 138807740
5-methoxy-2-methyl-1,3-benzothiazole;2-methylsulfanyl-1,3-benzothiazole
CID 67304255
5-ethoxy-2-methyl-1,3-benzothiazole
CID 832782
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
CID 143753373
2-methyl-1,3-benzothiazole-5-carbonyl chloride
CID 45077000

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-1,3-benzothiazole?
The IUPAC name of 2-methyl-5-methylsulfanyl-1,3-benzothiazole (CID 10954473) is 2-methyl-5-methylsulfanyl-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-1,3-benzothiazole?
The canonical SMILES for 2-methyl-5-methylsulfanyl-1,3-benzothiazole is CSc1ccc2sc(C)nc2c1.
What is the InChIKey of 2-methyl-5-methylsulfanyl-1,3-benzothiazole?
The InChIKey is DKCBZKUWJRXHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS2/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3.
What are the key properties of 2-methyl-5-methylsulfanyl-1,3-benzothiazole?
2-methyl-5-methylsulfanyl-1,3-benzothiazole has a molecular weight of 195.31 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-1,3-benzothiazole is sourced from PubChem (CID 10954473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).