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380347-93-3 | 5-(Morpholine-4-sulfonyl)-benzooxazole-2-thiol
CAS No: 380347-93-3 Catalog No: AG00I7HA MDL No:MFCD02725361
Product Description
Catalog Number:
AG00I7HA
Chemical Name:
5-(Morpholine-4-sulfonyl)-benzooxazole-2-thiol
CAS Number:
380347-93-3
Molecular Formula:
C11H12N2O4S2
Molecular Weight:
300.3540
MDL Number:
MFCD02725361
IUPAC Name:
5-morpholin-4-ylsulfonyl-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C11H12N2O4S2/c14-19(15,13-3-5-16-6-4-13)8-1-2-10-9(7-8)12-11(18)17-10/h1-2,7H,3-6H2,(H,12,18)
InChI Key:
UCPWUDHGWNEFMI-UHFFFAOYSA-N
SMILES:
Sc1oc2c(n1)cc(cc2)S(=O)(=O)N1CCOCC1
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.024g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.347g/mol
Monoisotopic Mass:
300.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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