2-(Benzylthio)aniline
2-(Benzylthio)aniline structure
|
Common Name | 2-(Benzylthio)aniline | ||
|---|---|---|---|---|
| CAS Number | 6325-92-4 | Molecular Weight | 215.31400 | |
| Density | 1.41g/cm3 | Boiling Point | 487.1ºC at 760 mmHg | |
| Molecular Formula | C13H13NS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 248.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-benzylsulfanylaniline |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.41g/cm3 |
|---|---|
| Boiling Point | 487.1ºC at 760 mmHg |
| Molecular Formula | C13H13NS |
| Molecular Weight | 215.31400 |
| Flash Point | 248.4ºC |
| Exact Mass | 215.07700 |
| PSA | 51.32000 |
| LogP | 4.14230 |
| Index of Refraction | 1.678 |
| InChIKey | YOLYJTSQMGIQOP-UHFFFAOYSA-N |
| SMILES | Nc1ccccc1SCc1ccccc1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2930909090 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:100-44-7
CAS#:137-07-5
CAS#:615-43-0
CAS#:100-39-0
CAS#:615-36-1
CAS#:77053-20-4
CAS#:105903-46-6
CAS#:22057-44-9
CAS#:1421772-90-8
CAS#:4875-10-9
CAS#:105602-95-7
CAS#:32018-43-2
CAS#:109334-46-5
CAS#:883-93-2
CAS#:2849-62-9
CAS#:25069-68-5
CAS#:5325-20-2
CAS#:101418-87-5
CAS#:102968-93-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2930909090 |
|---|---|
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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
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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: 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
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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|
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.
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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
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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: qHTS of TDP-43 Inhibitors: NCGC Sytravon Library Screen
Source: NCGC
External Id: tdp43-p2-repeat
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| diethylthiocarbamic acid S-(4-chlorobenzyl)ester |
| S-benzyl diethylaminomethanethioate |
| Carbamothioic acid,N,N-diethyl-,S-(phenylmethyl) ester |
| Carbamothioic acid,diethyl-,S-(phenylmethyl) ester |
| S-benzyl diethylthiocarbamate |
| deschlorothiobencarb |
| S-benzyl-N,N-diethylcarbamate |
| 2-H2NC6H4SBn |
| 2-(benzylsulfanyl)aniline |
| S-benzyl N,N-diethylthiocarbamate |
| Carbamicacid,diethylthio-,S-benzyl ester (7CI,8CI) |
| 2-aminophenyl benzyl sulphide |
| S-benzyl N,N-diethylthiolcarbamate |
| S-benzyl N,N-diethyltiocarbamate |
| S-benzyl ortho-aminothiophenol |
| 2-benzylsulfanyl-phenylamine |
| Carbamothioic acid,diethyl-,S-(phenylmethyl) ester (9CI) |
| 2-amino-S-benzylthiophenol |
| 2-aminophenyl benzyl ether |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 2-benzylsulfanylaniline? |
| A: Boiling point of 2-benzylsulfanylaniline is 487.1ºC at 760 mmHg. |
| Q: What are the downstream products of 2-benzylsulfanylaniline? |
| A: Related downstream products(CAS) of 2-benzylsulfanylaniline: 105602-95-7;32018-43-2;109334-46-5;883-93-2;2849-62-9;25069-68-5;5325-20-2;101418-87-5;102968-93-4;137-07-5. |
| Q: What is the InChIKey of 2-benzylsulfanylaniline? |
| A: InChIKey of 2-benzylsulfanylaniline is YOLYJTSQMGIQOP-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 2-benzylsulfanylaniline? |
| A: Polar surface area (PSA) of 2-benzylsulfanylaniline is 51.32000. |
| Q: What is the LogP of 2-benzylsulfanylaniline? |
| A: LogP of 2-benzylsulfanylaniline is 4.14230. |
| Q: What is the CAS number of 2-benzylsulfanylaniline? |
| A: CAS number of 2-benzylsulfanylaniline is 6325-92-4. |
| Q: What are the upstream materials of 2-benzylsulfanylaniline? |
| A: Related upstream materials(CAS) of 2-benzylsulfanylaniline: 100-44-7;137-07-5;615-43-0;100-39-0;615-36-1;77053-20-4;105903-46-6;22057-44-9;1421772-90-8;4875-10-9. |
| Q: What is the SMILES notation of 2-benzylsulfanylaniline? |
| A: SMILES notation of 2-benzylsulfanylaniline is Nc1ccccc1SCc1ccccc1. |
| Q: What is the molecular weight of 2-benzylsulfanylaniline? |
| A: Molecular weight of 2-benzylsulfanylaniline is 215.31400. |
| Q: What is the English name of 2-benzylsulfanylaniline? |
| A: The English name of 2-benzylsulfanylaniline is 2-benzylsulfanylaniline. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |