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125698-32-0

125698-32-0 | 1,2-Benzisothiazol-3(2H)-one, 2-[2-(methylthio)ethyl]-, 1,1-dioxide

CAS No: 125698-32-0 Catalog No: AG000OI9 MDL No:

Product Description

Catalog Number:
AG000OI9
Chemical Name:
1,2-Benzisothiazol-3(2H)-one, 2-[2-(methylthio)ethyl]-, 1,1-dioxide
CAS Number:
125698-32-0
Molecular Formula:
C10H11NO3S2
Molecular Weight:
257.3292
IUPAC Name:
2-(2-methylsulfanylethyl)-1,1-dioxo-1,2-benzothiazol-3-one
InChI:
InChI=1S/C10H11NO3S2/c1-15-7-6-11-10(12)8-4-2-3-5-9(8)16(11,13)14/h2-5H,6-7H2,1H3
InChI Key:
PCOYTLGIKATEHT-UHFFFAOYSA-N
SMILES:
CSCCN1C(=O)c2c(S1(=O)=O)cccc2

Properties

Complexity:
374  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.018g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.322g/mol
Monoisotopic Mass:
257.018g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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