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85030-12-2 | 2-[[(2-HYDROXYETHYL)METHYLAMINO]METHYL]-1,2-BENZISOTHIAZOL-3(2H)-ONE
CAS No: 85030-12-2 Catalog No: AG004PYD MDL No:
Product Description
Catalog Number:
AG004PYD
Chemical Name:
2-[[(2-HYDROXYETHYL)METHYLAMINO]METHYL]-1,2-BENZISOTHIAZOL-3(2H)-ONE
CAS Number:
85030-12-2
Molecular Formula:
C11H14N2O2S
Molecular Weight:
238.3061
IUPAC Name:
2-[[2-hydroxyethyl(methyl)amino]methyl]-1,2-benzothiazol-3-one
InChI:
InChI=1S/C11H14N2O2S/c1-12(6-7-14)8-13-11(15)9-4-2-3-5-10(9)16-13/h2-5,14H,6-8H2,1H3
InChI Key:
ZFGLHALAVZEHQD-UHFFFAOYSA-N
SMILES:
OCCN(Cn1sc2c(c1=O)cccc2)C
EC Number:
285-137-6
UNII:
5W0DQC0X0D
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.078g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.305g/mol
Monoisotopic Mass:
238.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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