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49847-44-1

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49847-44-1 Usage

General Description

1-Cyclohexyl-1H-tetrazole-5-thiol is a chemical compound with the molecular formula C7H12N4S. It is a white to light yellow solid that is used as a corrosion inhibitor in oil and gas production. 1-CYCLOHEXYL-1H-TETRAZOLE-5-THIOL is also used as a protecting agent for mercaptans in the production of intermediate products in the pharmaceutical and agrochemical industries. Additionally, it is utilized as a stabilizer for PVC and as an intermediate in the production of dyes and pharmaceuticals. Furthermore, 1-Cyclohexyl-1H-tetrazole-5-thiol has potential applications in the synthesis of metal-organic frameworks and coordination polymers. Overall, this compound has several industrial applications due to its corrosion inhibiting and stabilizing properties.

Check Digit Verification of cas no

The CAS Registry Mumber 49847-44-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,9,8,4 and 7 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 49847-44:
(7*4)+(6*9)+(5*8)+(4*4)+(3*7)+(2*4)+(1*4)=171
171 % 10 = 1
So 49847-44-1 is a valid CAS Registry Number.
InChI:InChI=1/C7H12N4S/c12-7-8-9-10-11(7)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,10,12)

49847-44-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-cyclohexyl-2H-tetrazole-5-thione

1.2 Other means of identification

Product number -
Other names 1-cyclohexyl-5-mercapto-1H-tetrazole

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:49847-44-1 SDS

49847-44-1Relevant articles and documents

Approaches to design non-covalent inhibitors for human granzyme B (hGrB)

Kim, Mi-Sun,Buisson, Lauriane A.,Heathcote, Dean A.,Hu, Haipeng,Braddock, D. Christopher,Barrett, Anthony G. M.,Ashton-Rickardt, Philip G.,Snyder, James P.

, p. 8952 - 8965 (2015/02/19)

A structure-based design campaign for non-covalent small molecule inhibitors of human granzyme B was carried out by means of a virtual screening strategy employing three constraints and probe site-mapping with FTMAP to identify ligand "hot spots". In addition, new scaffolds of diverse structures were subsequently explored with ROCS shape-based superposition methods, following by Glide SP docking, induced fit docking and analysis of QikProp molecular properties. Novel classes of moderately active small molecule blockers (≥25 μM IC50 values) from commercially available libraries were identified, and three novel scaffolds have been synthesized by multi-step procedures. Furthermore, we provide an example of a comprehensive structure-based drug discovery approach to non-covalent inhibitors that relies on the X-ray structure of a covalently bound ligand and suggest that the design path may be compromised by alternative and unknown binding poses. This journal is

Synthesis of unsymmetrical sulfides derived from tetrazole-5-thiols

Hrabalek,Pus,Baranek,Kunes,Palat

, p. 183 - 189 (2007/10/03)

A series of unsymmetrical sulfides derived from I-substituted tetrazole-5-thiols was prepared by fusion of the corresponding 1-R-tetrazole-5-thiol sodium salt with 1-R′-5-halotetrazole. The structure was confirmed by 1H NMR and 13C NMR spectra. The target compounds were prepared in 50-80% yields.

Product and preparation of 1H-tetrazole-5-thiol derivatives

-

, (2008/06/13)

The process for preparation of and the intermediate compounds such as 1H-tetrazole-5-thiol having the formula STR1 wherein R1 is alkyl, aminoalkyl, acylaminoalkyl, aryl, alkoxycarbonylaminoalkyl, halogen-substituted aryl or alkylamino-substituted aryl and R2 is hydrogen or arakyl, preferably benzyl. The compound is produced by reacting a substituted thiosemicarbazide with an aralkyl chloride, subjecting the resultant compound to diazotization, and reacting the resultant compound with a Friedel Crafts catalyst. Optionally, this may be further hydrolyzed when R1 is aminoalkyl and/or converted to conventional salts.

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