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4-Aminotetrahydrothiopyran 1,1-Dioxide Hydrochloride

4-Aminotetrahydrothiopyran 1,1-Dioxide Hydrochloride - CAS 116529-31-8

Catalog:	BB003759
Product Name:	4-Aminotetrahydrothiopyran 1,1-Dioxide Hydrochloride
CAS:	116529-31-8
Synonyms:	1,1-dioxo-4-thianamine;hydrochloride; 1,1-dioxothian-4-amine;hydrochloride

Technical Data

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Computed Properties

IUPAC Name:	1,1-dioxothian-4-amine;hydrochloride
Description:	4-Aminotetrahydrothiopyran 1,1-Dioxide Hydrochloride (CAS# 116529-31-8) is a useful research chemical.
Molecular Weight:	185.67
Molecular Formula:	C5H12ClNO2S
Canonical SMILES:	C1CS(=O)(=O)CCC1N.Cl
InChI:	InChI=1S/C5H11NO2S.ClH/c6-5-1-3-9(7,8)4-2-5;/h5H,1-4,6H2;1H
InChI Key:	XUECUYGAJXDZKG-UHFFFAOYSA-N
Boiling Point:	339.7 °C at 760 mmHg
Appearance:	Solid
MDL:	MFCD11114559
LogP:	2.10540

Publication Number	Title	Priority Date
WO-2021158481-A1	Substituted 1,1'-biphenyl compounds and methods using same	20200203
EP-3800188-A1	Substituted pyrazolopyrimidines as irak4 inhibitors	20191002
WO-2021064077-A1	Substituted pyrazolopyrimidines as irak4 inhibitors	20191002
CN-112236431-A	Purinone compounds and their use in the treatment of cancer	20180615
US-2021171525-A1	Purinone compounds and their use in treating cancer	20180615

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[7492-88-8]
3-piperidinecarbonitrile

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GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0277275
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	185.0277275
Rotatable Bond Count:	0
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0