Home Sulfos 2-(4-amino-3-methylbenzenesulfonyl)ethan-1-ol

2-(4-amino-3-methylbenzenesulfonyl)ethan-1-ol

CAS No.:
1566347-08-7
Catalog Number:
AG01BFAS
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
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Product Description
Catalog Number:
AG01BFAS
Chemical Name:
2-(4-amino-3-methylbenzenesulfonyl)ethan-1-ol
CAS Number:
1566347-08-7
Molecular Formula:
C9H13NO3S
Molecular Weight:
215.2694
MDL Number:
MFCD26853192
IUPAC Name:
2-(4-amino-3-methylphenyl)sulfonylethanol
InChI:
InChI=1S/C9H13NO3S/c1-7-6-8(2-3-9(7)10)14(12,13)5-4-11/h2-3,6,11H,4-5,10H2,1H3
InChI Key:
QSWBSKKCIGMYCD-UHFFFAOYSA-N
SMILES:
OCCS(=O)(=O)c1ccc(c(c1)C)N
Properties
Complexity:
270  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.062g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
215.267g/mol
Monoisotopic Mass:
215.062g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties