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477846-18-7 | 2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 477846-18-7 Catalog No: AG00IN3V MDL No:MFCD01871389
Product Description
Catalog Number:
AG00IN3V
Chemical Name:
2-{2-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
477846-18-7
Molecular Formula:
C12H9N3O2S3
Molecular Weight:
323.4138
MDL Number:
MFCD01871389
IUPAC Name:
2-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C12H9N3O2S3/c16-9-7-3-1-2-4-8(7)10(17)15(9)5-6-19-12-14-13-11(18)20-12/h1-4H,5-6H2,(H,13,18)
InChI Key:
IGJJUVLIDRTLRU-UHFFFAOYSA-N
SMILES:
Sc1nnc(s1)SCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.986g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.403g/mol
Monoisotopic Mass:
322.986g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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