2-Mercapto-5-nitrobenzimidazole structure
|
Common Name | 2-Mercapto-5-nitrobenzimidazole | ||
|---|---|---|---|---|
| CAS Number | 6325-91-3 | Molecular Weight | 195.19800 | |
| Density | 1.62 g/cm3 | Boiling Point | 348.4ºC at 760 mmH | |
| Molecular Formula | C7H5N3O2S | Melting Point | 274 °C (dec.)(lit.) | |
| MSDS | N/A | Flash Point | 164.5ºC | |
| Name | 5-Nitro-2-Benzimidazolethiol |
|---|---|
| Synonym | More Synonyms |
| Density | 1.62 g/cm3 |
|---|---|
| Boiling Point | 348.4ºC at 760 mmH |
| Melting Point | 274 °C (dec.)(lit.) |
| Molecular Formula | C7H5N3O2S |
| Molecular Weight | 195.19800 |
| Flash Point | 164.5ºC |
| Exact Mass | 195.01000 |
| PSA | 109.49000 |
| LogP | 2.65690 |
| InChIKey | YPXQSGWOGQPLQO-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1ccc2[nH]c(=S)[nH]c2c1 |
| Hazard Codes | Xi:Irritant; |
|---|---|
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| WGK Germany | 3 |
| HS Code | 2933990090 |
|
~81%
2-Mercapto-5-ni... CAS#:6325-91-3 |
| Literature: Mavrova, Anelia Ts.; Wesselinova, Diana; Vassilev, Nikolay; Tsenov, Jordan A. European Journal of Medicinal Chemistry, 2013 , vol. 63, p. 696 - 701 |
|
~88%
2-Mercapto-5-ni... CAS#:6325-91-3 |
| Literature: Uchida; Morita; Chihiro; Kanbe; Yamasaki; Yabuuchi; Nakagawa Chemical and Pharmaceutical Bulletin, 1989 , vol. 37, # 6 p. 1517 - 1523 |
|
~87%
2-Mercapto-5-ni... CAS#:6325-91-3 |
| Literature: Mahesh Kumar; Dubey Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2012 , vol. 51, # 11 p. 1619 - 1622 |
|
~%
2-Mercapto-5-ni... CAS#:6325-91-3 |
| Literature: Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, , vol. 51, # 11 p. 1619 - 1622 |
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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Name: uHTS identification of small molecule modulators of NR3A
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1015-NR3A-Primary-Assay
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Name: Cell survival assay for modulators of telomere damage signalling
Source: 15378
Target: N/A
External Id: TELO_02
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Name: uHTS identification of small molecule modulators of Rev-erb Alpha.
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: SBCCG-A1016-RevErbaLBD-Primary-Assay
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| 5-nitro-1,3-dihydrobenzimidazole-2-thione |
| MFCD00804727 |