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26196-35-0 | 2(3H)-Benzoxazolethione, 5-(1-piperidinylsulfonyl)-
CAS No: 26196-35-0 Catalog No: AG002S85 MDL No:MFCD03985198
Product Description
Catalog Number:
AG002S85
Chemical Name:
2(3H)-Benzoxazolethione, 5-(1-piperidinylsulfonyl)-
CAS Number:
26196-35-0
Molecular Formula:
C12H14N2O3S2
Molecular Weight:
298.3812
MDL Number:
MFCD03985198
IUPAC Name:
5-piperidin-1-ylsulfonyl-3H-1,3-benzoxazole-2-thione
InChI:
InChI=1S/C12H14N2O3S2/c15-19(16,14-6-2-1-3-7-14)9-4-5-11-10(8-9)13-12(18)17-11/h4-5,8H,1-3,6-7H2,(H,13,18)
InChI Key:
NREGMSDBKOWQDD-UHFFFAOYSA-N
SMILES:
S=c1oc2c([nH]1)cc(cc2)S(=O)(=O)N1CCCCC1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.375g/mol
Monoisotopic Mass:
298.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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