(1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride
(1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride structure
|
Common Name | (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride | ||
|---|---|---|---|---|
| CAS Number | 106913-58-0 | Molecular Weight | 297.80700 | |
| Density | N/A | Boiling Point | 335.3ºC at 760mmHg | |
| Molecular Formula | C12H16ClN5S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 156.6ºC | |
Summary: (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride, Chinese name: (1Z)-1-(5-苯基硫代三唑-4-亚基)-N',N'-二甲基甲烷二胺盐酸盐, CAS number: 106913-58-0, molecular formula: C12H16ClN5S, molecular weight: 297.80700. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Boiling Point | 335.3ºC at 760mmHg |
|---|---|
| Molecular Formula | C12H16ClN5S |
| Molecular Weight | 297.80700 |
| Flash Point | 156.6ºC |
| Exact Mass | 297.08100 |
| PSA | 91.64000 |
| LogP | 2.19760 |
| Vapour Pressure | 0.000121mmHg at 25°C |
| InChIKey | UWHZEPGNDZVPBM-UHFFFAOYSA-N |
| SMILES | CN(C)C(=N)C1=NNN=C1SCC2=CC=CC=C2.Cl |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~62%
(1Z)-1-(5-benzy... CAS#:106913-58-0 |
| Literature: Nemeryuk, Michal P.; Sedov, Andrej L.; Safonova, Tamara S.; Cerny, Antonin; Krepelka, Jiri Collection of Czechoslovak Chemical Communications, 1986 , vol. 51, # 1 p. 215 - 233 |
|
~%
(1Z)-1-(5-benzy... CAS#:106913-58-0 |
| Literature: Nemeryuk, Michal P.; Sedov, Andrej L.; Safonova, Tamara S.; Cerny, Antonin; Krepelka, Jiri Collection of Czechoslovak Chemical Communications, 1986 , vol. 51, # 1 p. 215 - 233 |
|
~%
(1Z)-1-(5-benzy... CAS#:106913-58-0 |
| Literature: Nemeryuk, Michal P.; Sedov, Andrej L.; Safonova, Tamara S.; Cerny, Antonin; Krepelka, Jiri Collection of Czechoslovak Chemical Communications, 1986 , vol. 51, # 1 p. 215 - 233 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
|
|
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: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
|
|
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
|
|
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
|
|
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: 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
|
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride? |
| A: Molecular formula of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride is C12H16ClN5S. |
| Q: What is the boiling point of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride? |
| A: Boiling point of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride is 335.3ºC at 760mmHg. |
| Q: What is the molecular weight of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride? |
| A: Molecular weight of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride is 297.80700. |
| Q: What is the polar surface area (PSA) of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride? |
| A: Polar surface area (PSA) of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride is 91.64000. |
| Q: What is the InChIKey of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride? |
| A: InChIKey of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride is UWHZEPGNDZVPBM-UHFFFAOYSA-N. |
| Q: What are the upstream materials of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride? |
| A: Related upstream materials(CAS) of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride: 57672-25-0;100-39-0;54660-15-0. |
| Q: What is the Chinese name of 106913-58-0? |
| A: Chinese name of 106913-58-0 is 106913-58-0. |
| Q: What is the SMILES notation of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride? |
| A: SMILES notation of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride is CN(C)C(=N)C1=NNN=C1SCC2=CC=CC=C2.Cl. |
| Q: What is the LogP of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride? |
| A: LogP of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride is 2.19760. |
| Q: What is the English name of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride? |
| A: The English name of (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride is (1Z)-1-(5-benzylsulfanyltriazol-4-ylidene)-N',N'-dimethylmethanediamine,hydrochloride. |