1,1-Dioxidotetrahydrothien-3-ylamine - CAS 6338-70-1

Catalog:	BB032125
Product Name:	1,1-Dioxidotetrahydrothien-3-ylamine
CAS:	6338-70-1
Synonyms:	1,1-dioxo-3-thiolanamine; 1,1-dioxothiolan-3-amine

Technical Data

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Computed Properties

IUPAC Name:	1,1-dioxothiolan-3-amine
Description:	1,1-Dioxidotetrahydrothien-3-ylamine (CAS# 6338-70-1) is a useful research chemical.
Molecular Weight:	135.18
Molecular Formula:	C4H9NO2S
Canonical SMILES:	C1CS(=O)(=O)CC1N
InChI:	InChI=1S/C4H9NO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3,5H2
InChI Key:	OVKIDXBGVUQFFC-UHFFFAOYSA-N
Boiling Point:	334.9 °C at 760 mmHg
LogP:	0.91330

Publication Number	Title	Priority Date
CN-112210777-A	Supermolecular compound additive based on hydroxypropyl-beta-cyclodextrin phosphate and application method thereof	20201013
WO-2021159015-A1	Nampt modulators	20200207
WO-2021102288-A1	Pyridopyrimidinone derivatives as ahr antagonists	20191122
EP-3800188-A1	Substituted pyrazolopyrimidines as irak4 inhibitors	20191002
WO-2021064077-A1	Substituted pyrazolopyrimidines as irak4 inhibitors	20191002

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GHS Hazard Statement:	H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.03539970
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	135.03539970
Rotatable Bond Count:	0
Topological Polar Surface Area:	68.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1