5-(Benzylthio)-1H-tetrazole - CAS 21871-47-6

Catalog:	BB017182
Product Name:	5-(Benzylthio)-1H-tetrazole
CAS:	21871-47-6
Synonyms:	5-benzylsulfanyl-2H-tetrazole

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Computed Properties

IUPAC Name:	5-benzylsulfanyl-2H-tetrazole
Description:	5-(Benzylthio)-1H-tetrazole (CAS# 21871-47-6) is used in the preparation of organosilicon compounds that have antibacterial activity.
Molecular Weight:	192.24
Molecular Formula:	C8H8N4S
Canonical SMILES:	C1=CC=C(C=C1)CSC2=NNN=N2
InChI:	InChI=1S/C8H8N4S/c1-2-4-7(5-3-1)6-13-8-9-11-12-10-8/h1-5H,6H2,(H,9,10,11,12)
InChI Key:	GXGKKIPUFAHZIZ-UHFFFAOYSA-N
Melting Point:	135-138 °C
Purity:	95 %
Density:	1.38 g/cm³
MDL:	MFCD00068731
LogP:	1.49200

Publication Number	Title	Priority Date
JP-2020203902-A	Alkoxyphenyl derivatives, nucleoside protectors and nucleotide protectors, oligonucleotide production methods, and substituent removal methods	20200818
WO-2021210408-A1	Method for producing nucleic acid oligomer	20200414
WO-2021210409-A1	Composition containing nucleic acid oligomer	20200414
US-2021317457-A1	Antisense oligonucleotide (aso) molecules and uses thereof for coronavirus diseases	20200410
WO-2021207637-A1	Short interfering nucleic acid (sina) molecules and uses thereof for coronavirus diseases	20200410

PMID	Publication Date	Title	Journal
22493688	20120101	A rapid, cost-effective method of assembly and purification of synthetic DNA probes >100 bp	PloS one
22013508	20110101	Synthesis of specifically modified oligonucleotides for application in structural and functional analysis of RNA	Journal of nucleic acids
20552011	20100611	DMSO and betaine greatly improve amplification of GC-rich constructs in de novo synthesis	PloS one
18327953	20080404	The 4-(N-dichloroacetyl-N-methylamino)benzyloxymethyl group for 2'-hydroxyl protection of ribonucleosides in the solid-phase synthesis of oligoribonucleotides	The Journal of organic chemistry
15333895	20050101	RNA synthesis using 2'-O-(tert-butyldimethylsilyl) protection	Methods in molecular biology (Clifton, N.J.)

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GHS Hazard Statement:	H315 (97.78%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.04696745
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.04696745
Rotatable Bond Count:	3
Topological Polar Surface Area:	79.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8