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Also known as: Schembl1252785, Aieulovgriajcy-uhfffaoysa-n, 852291-42-0, Db-192410, 2-bromo-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine p-toluenesulfonate
Molecular Formula
C14H17BrN2O3S2
Molecular Weight
405.3  g/mol
InChI Key
AIEULOVGRIAJCY-UHFFFAOYSA-N

CAS No 852291-42-0
1 2D Structure

CAS No 852291-42-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-bromo-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;4-methylbenzenesulfonic acid
2.1.2 InChI
InChI=1S/C7H9BrN2S.C7H8O3S/c1-10-3-2-5-6(4-10)11-7(8)9-5;1-6-2-4-7(5-3-6)11(8,9)10/h2-4H2,1H3;2-5H,1H3,(H,8,9,10)
2.1.3 InChI Key
AIEULOVGRIAJCY-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl1252785

2. Aieulovgriajcy-uhfffaoysa-n

3. 852291-42-0

4. Db-192410

5. 2-bromo-5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine P-toluenesulfonate

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 405.3 g/mol
Molecular Formula C14H17BrN2O3S2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area107
Heavy Atom Count22
Formal Charge0
Complexity362
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

BUILDING BLOCK

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