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69812-29-9 | 2-Acetamido-4-methylthiazole-5-sulfonyl chloride
CAS No: 69812-29-9 Catalog No: AG003GAF MDL No:MFCD00005320
Product Description
Catalog Number:
AG003GAF
Chemical Name:
2-Acetamido-4-methylthiazole-5-sulfonyl chloride
CAS Number:
69812-29-9
Molecular Formula:
C6H7ClN2O3S2
Molecular Weight:
254.7144
MDL Number:
MFCD00005320
IUPAC Name:
2-acetamido-4-methyl-1,3-thiazole-5-sulfonyl chloride
InChI:
InChI=1S/C6H7ClN2O3S2/c1-3-5(14(7,11)12)13-6(8-3)9-4(2)10/h1-2H3,(H,8,9,10)
InChI Key:
NXGKPRKPUCSEIL-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc(c(s1)S(=O)(=O)Cl)C
EC Number:
274-127-7
NSC Number:
95414
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.959g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.703g/mol
Monoisotopic Mass:
253.959g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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