5-(Methylthio)-1H-tetrazole - CAS 29515-99-9

Catalog:	BB020225
Product Name:	5-(Methylthio)-1H-tetrazole
CAS:	29515-99-9
Synonyms:	5-methylsulfanyl-2H-tetrazole

Technical Data

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Computed Properties

IUPAC Name:	5-methylsulfanyl-2H-tetrazole
Description:	5-(Methylthio)-1H-tetrazole (CAS# 29515-99-9) is a useful research chemical.
Molecular Weight:	116.14
Molecular Formula:	C2H4N4S
Canonical SMILES:	CSC1=NNN=N1
InChI:	InChI=1S/C2H4N4S/c1-7-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
InChI Key:	ZBXNFTFKKOSPLD-UHFFFAOYSA-N
Boiling Point:	293.8 °C at 760 mmHg
Melting Point:	149-152 °C
Purity:	95 %
Density:	1.48 g/cm³
Appearance:	White crystals
Storage:	Store at 0-5 °C
MDL:	MFCD00068726
LogP:	-0.07840

Publication Number	Title	Priority Date
CN-113082170-A	Traditional Chinese medicine preparation for inhibiting 2019-nCoV and preparation method thereof	20210416
CN-113186531-A	Fluorine-free etchant and etching method thereof	20210406
CN-112552316-A	Preparation method of cefotetan disodium raw material medicine	20201228
CN-112415799-A	Array substrate and preparation method thereof	20201110
CN-112079782-A	Synephrine azole derivatives, and preparation method and application thereof	20200925

PMID	Publication Date	Title	Journal
22200846	20120401	Diethyldithiocarbamate induces apoptosis in HHV-8-infected primary effusion lymphoma cells via inhibition of the NF-κB pathway	International journal of oncology
22320346	20120401	Antitumor effect of berberine against primary effusion lymphoma via inhibition of NF-κB pathway	Cancer science
22132115	20110101	Deficient spindle assembly checkpoint in multiple myeloma	PloS one
20347819	20100801	C/EBPalpha is up-regulated in a subset of hepatocellular carcinomas and plays a role in cell growth and proliferation	Gastroenterology
20299303	20100701	Arsenic inhibits myogenic differentiation and muscle regeneration	Environmental health perspectives

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	116.01566732
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	116.01566732
Rotatable Bond Count:	1
Topological Polar Surface Area:	79.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3