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13581-52-7 | 4,5,6,7-tetrahydro-2-imino-alpha-(p-mesylphenyl)benzothiazoline-3-ethanol
CAS No: 13581-52-7 Catalog No: AG00AJCC MDL No:
Product Description
Catalog Number:
AG00AJCC
Chemical Name:
4,5,6,7-tetrahydro-2-imino-alpha-(p-mesylphenyl)benzothiazoline-3-ethanol
CAS Number:
13581-52-7
IUPAC Name:
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylsulfonylphenyl)ethanol
InChI:
InChI=1S/C16H20N2O3S2/c1-23(20,21)12-8-6-11(7-9-12)14(19)10-18-13-4-2-3-5-15(13)22-16(18)17/h6-9,14,17,19H,2-5,10H2,1H3
InChI Key:
JOBSHVWSLVXORP-UHFFFAOYSA-N
EC Number:
237-013-8
Properties
Complexity:
601
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.092g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.467g/mol
Monoisotopic Mass:
352.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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