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1677-27-6 | 3H-1,2-Benzodithiol-3-one
CAS No: 1677-27-6 Catalog No: AG001XJU MDL No:MFCD00134412
Product Description
Catalog Number:
AG001XJU
Chemical Name:
3H-1,2-Benzodithiol-3-one
CAS Number:
1677-27-6
Molecular Formula:
C7H4OS2
Molecular Weight:
168.2361
MDL Number:
MFCD00134412
IUPAC Name:
1,2-benzodithiol-3-one
InChI:
InChI=1S/C7H4OS2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H
InChI Key:
GZTYTTPPCAXUHB-UHFFFAOYSA-N
SMILES:
O=c1ssc2c1cccc2
EC Number:
216-829-8
UNII:
2SN20K238G
NSC Number:
158037
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.97g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.228g/mol
Monoisotopic Mass:
167.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Literature
| Title | Journal |
|---|---|
| Thiol-dependent DNA cleavage by aminomethylated Beaucage's reagent. | Organic & biomolecular chemistry 20100321 |
| Solid-supported reagents for synthesis of nucleoside monothiophosphates, dithiodiphosphates, and trithiotriphosphates. | Current protocols in nucleic acid chemistry 20090301 |
| Possible chemical mechanisms underlying the antitumor activity of S-deoxyleinamycin. | Bioorganic & medicinal chemistry letters 20080515 |
| Substituent effects on the reactivity of benzo-1,2-dithiolan-3-one 1-oxides and their possible application to the synthesis of DNA-targeting drugs. | The Journal of organic chemistry 20050819 |
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