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7501-62-4 | BENZO[1,3]DIOXOL-5-YL-MORPHOLIN-4-YL-METHANETHIONE
CAS No: 7501-62-4 Catalog No: AG005EZ3 MDL No:
Product Description
Catalog Number:
AG005EZ3
Chemical Name:
BENZO[1,3]DIOXOL-5-YL-MORPHOLIN-4-YL-METHANETHIONE
CAS Number:
7501-62-4
Molecular Formula:
C12H13NO3S
Molecular Weight:
251.3015
IUPAC Name:
1,3-benzodioxol-5-yl(morpholin-4-yl)methanethione
InChI:
InChI=1S/C12H13NO3S/c17-12(13-3-5-14-6-4-13)9-1-2-10-11(7-9)16-8-15-10/h1-2,7H,3-6,8H2
InChI Key:
FMLOSRXWOQMQDQ-UHFFFAOYSA-N
SMILES:
S=C(c1ccc2c(c1)OCO2)N1CCOCC1
NSC Number:
406667
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.3g/mol
Monoisotopic Mass:
251.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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