Home Sulfos methyl 3-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]propanoate

methyl 3-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]propanoate

CAS No.:
1803604-49-0
Catalog Number:
AG01B9ME
Molecular Formula:
C7H8N2O6S2
Molecular Weight:
280.2782
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Product Description
Catalog Number:
AG01B9ME
Chemical Name:
methyl 3-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]propanoate
CAS Number:
1803604-49-0
Molecular Formula:
C7H8N2O6S2
Molecular Weight:
280.2782
MDL Number:
MFCD28383926
IUPAC Name:
methyl 3-[(5-nitro-1,3-thiazol-2-yl)sulfonyl]propanoate
InChI:
InChI=1S/C7H8N2O6S2/c1-15-6(10)2-3-17(13,14)7-8-4-5(16-7)9(11)12/h4H,2-3H2,1H3
InChI Key:
XZHQKUNRSQPFEY-UHFFFAOYSA-N
SMILES:
COC(=O)CCS(=O)(=O)c1ncc(s1)[N+](=O)[O-]
Properties
Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.982g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.269g/mol
Monoisotopic Mass:
279.982g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties