2,2-Pentamethylenebenzothiazoline structure

2,2-Pentamethylenebenzothiazoline

spiro[3H-1,3-benzothiazole-2,1'-cyclohexane]

Also Known As: 3H-spiro[1,3-benzothiazole-2,1'-cyclohexane]|3H-Spiro[benzo[d]thiazole-2,1'-cyclohexane]|spirobenzothiazolecyclohexane|Oprea1_546947|2,2-Pentamethylenbenzothiazolin|C123CCCCC1.N2c4ccccc4S3|spiro[3H-1,3-benzothiazole-2,1'-cyclohexane]|2,2-PENTAMETHYLENEBENZOTHIAZOLINE|spiro[benzothiazole-2(3H),1'-cyclohexane]|6122AD|AE-0712|KS-0000221T|3h-spiro[1,3-benzothiazole-2,1-cyclohexane]|2,2-Pentamethylene-2,3-dihydrobenzothiazole|3H-Spiro[1,3-benzothiazole-2,1/'-cyclohexane]|3H-spiro1,3-benzothiazole-2,1'-cyclohexane|J3.465.846C|3H-spiro[1,3-benzothiazole-2,1'-cyclo hexane]|2,3-dihydrospiro([1,3]benzothiazole-2,1'-cyclohexane)|3H-Spiro[[1,3]benzothiazole-2,1'-cyclohexane]|AF-753/00288027|spiro[2,3-dihydrobenzothiazole-2,1'-cyclohexane]|3H-Spiro[1,3-benzothiazole-2,1'-cyclohexane]|I01-13617|654-600-8

CAS: 182-53-6
Molecular Formula C12H15NS
Molecular Weight 205.09251 g/mol
LogP 3.9
Topological Polar Surface Area 37.3 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
Rotatable Bonds 0
Exact Mass 205.09251
Monoisotopic Mass 205.09251
Heavy Atoms 14
Complexity 210.0

Chemical Identifiers

CAS Number 182-53-6
SMILES C1CCC2(CC1)NC3=CC=CC=C3S2
InChIKey KFQBMGYBVHJESL-UHFFFAOYSA-N

Product Overview

2,2-Pentamethylenebenzothiazoline (CAS 182-53-6), with molecular formula C12H15NS and molecular weight 205.09251 g/mol. IUPAC: spiro[3H-1,3-benzothiazole-2,1'-cyclohexane].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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