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Tetrahydrothiopyran-4-sulfonyl Chloride 1,1-Dioxide

Tetrahydrothiopyran-4-sulfonyl Chloride 1,1-Dioxide - CAS 1221722-37-7

Catalog:	BB005355
Product Name:	Tetrahydrothiopyran-4-sulfonyl Chloride 1,1-Dioxide
CAS:	1221722-37-7
Synonyms:	1,1-dioxo-4-thianesulfonyl chloride; 1,1-dioxothiane-4-sulfonyl chloride

Technical Data

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Computed Properties

IUPAC Name:	1,1-dioxothiane-4-sulfonyl chloride
Description:	Tetrahydrothiopyran-4-sulfonyl Chloride 1,1-Dioxide (CAS# 1221722-37-7) is a chemical reagent used in the synthesis of pharmaceutically active agents.
Molecular Weight:	232.71
Molecular Formula:	C5H9ClO4S2
Canonical SMILES:	C1CS(=O)(=O)CCC1S(=O)(=O)Cl
InChI:	InChI=1S/C5H9ClO4S2/c6-12(9,10)5-1-3-11(7,8)4-2-5/h5H,1-4H2
InChI Key:	VVMQCBWGPRBGDH-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2019359565-A1	Sulfinylaminobenzamide and sulfonylaminobenzamide derivatives	20180522
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US-2018251437-A1	1,3,4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20150727

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[313685-03-9]
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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:	330
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.9630788
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	231.9630788
Rotatable Bond Count:	1
Topological Polar Surface Area:	85 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3