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24962-79-6 | 2-mercapto-1,3-benzoxazole-5-sulfonamide
CAS No: 24962-79-6 Catalog No: AG00J98U MDL No:MFCD27948077
Product Description
Catalog Number:
AG00J98U
Chemical Name:
2-mercapto-1,3-benzoxazole-5-sulfonamide
CAS Number:
24962-79-6
Molecular Formula:
C7H6N2O3S2
Molecular Weight:
230.2641
MDL Number:
MFCD27948077
IUPAC Name:
2-sulfanylidene-3H-1,3-benzoxazole-5-sulfonamide
InChI:
InChI=1S/C7H6N2O3S2/c8-14(10,11)4-1-2-6-5(3-4)9-7(13)12-6/h1-3H,(H,9,13)(H2,8,10,11)
InChI Key:
SCMGHROIQYCXRC-UHFFFAOYSA-N
SMILES:
Sc1oc2c(n1)cc(cc2)S(=O)(=O)N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.982g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.256g/mol
Monoisotopic Mass:
229.982g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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