Home Sulfos N-(2,5-DiMethylphenylsulfonyl)-S-MethylhoMocysteine

N-(2,5-DiMethylphenylsulfonyl)-S-MethylhoMocysteine

CAS No.:
1008965-15-8
Catalog Number:
AG00902H
Molecular Formula:
C13H19NO4S2
Molecular Weight:
317.4243
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00902H
Chemical Name:
N-(2,5-DiMethylphenylsulfonyl)-S-MethylhoMocysteine
CAS Number:
1008965-15-8
Molecular Formula:
C13H19NO4S2
Molecular Weight:
317.4243
MDL Number:
MFCD05148153
IUPAC Name:
2-[(2,5-dimethylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
InChI:
InChI=1S/C13H19NO4S2/c1-9-4-5-10(2)12(8-9)20(17,18)14-11(13(15)16)6-7-19-3/h4-5,8,11,14H,6-7H2,1-3H3,(H,15,16)
InChI Key:
GPVBCMKVUYEXIR-UHFFFAOYSA-N
SMILES:
CSCCC(C(=O)O)NS(=O)(=O)c1cc(C)ccc1C
Properties
Complexity:
419  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.076g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
317.418g/mol
Monoisotopic Mass:
317.076g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties