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Home > Indoles and Oxindole > 18138-19-7
18138-19-7 | 1H-Isoindole-1,3(2H)-dithione
CAS No: 18138-19-7 Catalog No: AG0078JM MDL No:
Product Description
Catalog Number:
AG0078JM
Chemical Name:
1H-Isoindole-1,3(2H)-dithione
CAS Number:
18138-19-7
Molecular Formula:
C8H5NS2
Molecular Weight:
179.2620
IUPAC Name:
isoindole-1,3-dithione
InChI:
InChI=1S/C8H5NS2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)
InChI Key:
CMTSCLKCQBPLSH-UHFFFAOYSA-N
SMILES:
S=C1NC(=S)c2c1cccc2
UNII:
7R978066MK
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.986g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.255g/mol
Monoisotopic Mass:
178.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Thiothalidomides: novel isosteric analogues of thalidomide with enhanced TNF-alpha inhibitory activity. | Journal of medicinal chemistry 20031120 |
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