1-methyl-1H-1,2,3-triazole-4-sulfonyl chloride - CAS 1351676-71-5

Catalog:	BB008089
Product Name:	1-methyl-1H-1,2,3-triazole-4-sulfonyl chloride
CAS:	1351676-71-5
Synonyms:	1-methyl-4-triazolesulfonyl chloride; 1-methyltriazole-4-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	1-methyltriazole-4-sulfonyl chloride
Description:	1-methyl-1H-1,2,3-triazole-4-sulfonyl chloride (CAS# 1351676-71-5) is a useful research chemical.
Molecular Weight:	181.594
Molecular Formula:	C3H4ClN3O2S
Canonical SMILES:	CN1C=C(N=N1)S(=O)(=O)Cl
InChI:	InChI=1S/C3H4ClN3O2S/c1-7-2-3(5-6-7)10(4,8)9/h2H,1H3
InChI Key:	HGSOQZHRNVVEDM-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-3191471-B1	4,5-dihydropyrazole derivatives, pharmaceutical compositions containing them, and their use in therapy	20140911
US-2016075691-A1	4,5- dihydropyrazole derivatives, pharmaceutical compositions containing them, and their use in therapy	20140911
US-9550754-B2	4,5-dihydropyrazole derivatives, pharmaceutical compositions containing them, and their use in therapy	20140911
CA-2931302-A1	Octahydro fused azadecalin glucocorticoid receptor modulators	20131125
EP-3074011-B1	Octahydro fused azadecalin glucocorticoid receptor modulators	20131125

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Related Functional Groups

Triazole/Tetrazole

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.9712752
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.9712752
Rotatable Bond Count:	1
Topological Polar Surface Area:	73.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0