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909854-52-0 | 2-(methylthio)-1,3-benzoxazole-5-sulfonamide
CAS No: 909854-52-0 Catalog No: AG00J994 MDL No:MFCD11696451
Product Description
Catalog Number:
AG00J994
Chemical Name:
2-(methylthio)-1,3-benzoxazole-5-sulfonamide
CAS Number:
909854-52-0
Molecular Formula:
C8H8N2O3S2
Molecular Weight:
244.2907
MDL Number:
MFCD11696451
IUPAC Name:
2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide
InChI:
InChI=1S/C8H8N2O3S2/c1-14-8-10-6-4-5(15(9,11)12)2-3-7(6)13-8/h2-4H,1H3,(H2,9,11,12)
InChI Key:
ZUHWOYZDZXOVQM-UHFFFAOYSA-N
SMILES:
CSc1oc2c(n1)cc(cc2)S(=O)(=O)N
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.998g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.283g/mol
Monoisotopic Mass:
243.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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