2-Mercapto-5-nitrobenzimidazole

Modify Date: 2025-08-25 16:53:40

2-Mercapto-5-nitrobenzimidazole Structure
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

 Names

Name 5-Nitro-2-Benzimidazolethiol
Synonym More Synonyms

 Chemical & Physical Properties

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

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S36
WGK Germany 3
HS Code 2933990090

 Synthetic Route

~81%

2-Mercapto-5-nitrobenzimidazole Structure

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-nitrobenzimidazole Structure

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-nitrobenzimidazole Structure

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-nitrobenzimidazole Structure

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

 Customs

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%

 2-Mercapto-5-nitrobenzimidazoleBioassay

View more

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
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
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
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
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
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
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
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
Name: Cell survival assay for modulators of telomere damage signalling
Source: 15378
Target: N/A
External Id: TELO_02
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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 Synonyms

5-nitro-1,3-dihydrobenzimidazole-2-thione
MFCD00804727
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