RefChem:484757 structure

RefChem:484757

2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylsulfonylphenyl)ethanol

Also Known As: EINECS 237-013-8|N-(3-Aminopropyl)ethylenediamine|3(2H)-Benzothiazoleethanol, 4,5,6,7-tetrahydro-2-imino-.alpha.-[4-(methylsulfonyl)phenyl]-|3(2H)-Benzothiazoleethanol, 4,5,6,7-tetrahydro-2-imino-alpha-[4-(methylsulfonyl)phenyl]-|4,5,6,7-Tetrahydro-2-imino-alpha-(p-mesylphenyl)benzothiazoline-3-ethanol|2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylsulfonylphenyl)ethanol|3(2H)-Benzothiazoleethanol, 4,5,6,7-tetrahydro-2-imino-alpha-(4-(methylsulfonyl)phenyl)-|2-[(2z)-2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2h)-yl]-1-[4-(methylsulfonyl)phenyl]ethanol|2,3,4,5,6,7-Hexahydro-2-imino-alpha-[p-(methylsulfonyl)phenyl]-3-benzothiazoleethanol|2-(2-imino-4,5,6,7-tetrahydro-benzothiazol-3-yl)-1-(4-methanesulfonyl-phenyl)-ethanol|3-Benzothiazolineethanol, 4,5,6,7-tetrahydro-2-imino-.alpha.-[p-(methylsulfonyl)phenyl]-|3-Benzothiazolineethanol, 4,5,6,7-tetrahydro-2-imino-alpha-(p-(methylsulfonyl)phenyl)-|2-(2-imino-2,3,4,5,6,7-hexahydro-1,3-benzothiazol-3-yl)-1-(4-methanesulfonylphenyl)ethan-1-ol|2-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-[4-(methanesulfonyl)phenyl]ethan-1-ol

CAS: 13581-52-7
Molecular Formula C16H20N2O3S2
Molecular Weight 352.09152 g/mol
LogP 2.04
Topological Polar Surface Area 83.15 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 4
Exact Mass 352.09152
Heavy Atoms 23
Complexity 863.7

Chemical Identifiers

CAS Number 13581-52-7
SMILES CS(=O)(=O)C1=CC=C(C=C1)C(CN2C3=C(CCCC3)SC2=N)O

Product Overview

RefChem:484757 (CAS 13581-52-7), with molecular formula C16H20N2O3S2 and molecular weight 352.09152 g/mol. IUPAC: 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylsulfonylphenyl)ethanol.

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