Basic information
- CAS
292615-40-8- Standard SMILES
O=C1NNC(=O)c2ccccc2SSc2ccccc2C(=O)NNC(=O)c2ccccc2SSc2ccccc21- InChIKey
ZFFCQXUXSGUXST-UHFFFAOYSA-N- Molecular formula
- C28H20N4O4S4
- Average molar mass
- 604.8 g/mol
- Monoisotopic mass
- 604.03673983
Names & identifiers
- Preferred name
- N,N'-Bis(2,2'-dithiosalicyl)hydrazide
- IUPAC
- 2,3,20,21-tetrathia-11,12,29,30-tetrazapentacyclo[30.4.0.04,9.014,19.022,27]hexatriaconta-1(36),4,6,8,14,16,18,22,24,26,32,34-dodecaene-10,13,28,31-tetrone
- English name
- N,N'-Bis(2,2'-dithiosalicyl)hydrazide
- Molecular formula
- C28H20N4O4S4
- Molecular weight
- 604.74
Names & synonyms
N,N'-Bis(2,2'-dithiosalicyl)hydrazide292615-40-8NSC704783CHEMBL15285012,13,26,27-Tetrahydrotetrabenzo[c,i,m,s][1,2,11,12]tetrathia[6,7,16,17]tetraazacycloicosine-11,14,25,28-tetraone2,3,20,21-tetrathia-11,12,29,30-tetrazapentacyclo[30.4.0.04,9.014,19.022,27]hexatriaconta-1(36),4,6,8,14,16,18,22,24,26,32,34-dodecaene-10,13,28,31-tetroneTetrabenzo[c,i,m,s][1,2,11,12,6,7,16,17]tetrathiatetraazacycloeicosine-11,14,25,28-tetrone, 12,13,26,27-tetrahydro-SCHEMBL14259805DTXSID30327934BDBM50121970NSC-704783NCI60_037410
Show more names
NSC 704783N,N'-BIS(2-MERCAPTOBENZOYL)HYDRAZIDE
11,12,13,14,25,26,27,28-octahydrotetrabenzo[c,i,m,s][1,2,11,12,6,7,16,17]tetrathiatetraazacycloicosine-11,14,25,28-tetraone12,13,26,27-Tetrahydrotetrabenzo[c,i,m,s][1,2,11,12,6,7,16,17]tetrathiatetraazacycloicosine-11,14,25,28-tetrone
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 218 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 783
Physicochemical properties
- Melting point
- 148 °C · 148°C dec.
- Boiling point
- 889 · 889.0±65.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 9.45 · 9.45±0.20(Predicted)
- form
- Powder
- color
- White to Beige
- Stability
- Air Sensitive
Chemistry & industry
Applications
UsesA selective inhibitor of HIV-1 integrase. Has no other effect on other retroviral targets, including reverse transcriptase, protease, and virus attachement, and exhibits no detectable activity agains t human topoisomerases I and II at concentrations that effectively inhibit integrase.
Suppliers5 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
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Compound notes
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