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4-(Methylamino)tetrahydrothiopyran 1,1-Dioxide

4-(Methylamino)tetrahydrothiopyran 1,1-Dioxide - CAS 863248-54-8

Catalog:	BB037888
Product Name:	4-(Methylamino)tetrahydrothiopyran 1,1-Dioxide
CAS:	863248-54-8
Synonyms:	N-methyl-1,1-dioxo-4-thianamine; N-methyl-1,1-dioxothian-4-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	N-methyl-1,1-dioxothian-4-amine
Description:	4-(Methylamino)tetrahydrothiopyran 1,1-Dioxide (CAS# 863248-54-8) is a useful research chemical compound.
Molecular Weight:	163.24
Molecular Formula:	C6H13NO2S
Canonical SMILES:	CNC1CCS(=O)(=O)CC1
InChI:	InChI=1S/C6H13NO2S/c1-7-6-2-4-10(8,9)5-3-6/h6-7H,2-5H2,1H3
InChI Key:	GZCQKWYJTWFNEX-UHFFFAOYSA-N
MDL:	MFCD12187546
LogP:	2.05670

Publication Number	Title	Priority Date
US-2020123105-A1	Hepatitis b capsid assembly modulators	20180611
US-11014881-B2	Hepatitis B capsid assembly modulators	20180611
WO-2019232223-A1	Hsp90 beta selective inhibitors	20180530
US-2020315174-A1	Substituted thiophenyl uracils, salts thereof and the use thereof as herbicidal agents	20171219
US-2020308145-A1	Benzimidazole derivatives and their uses	20171019

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Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.06669983
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.06669983
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3