Thietane 1-Oxide - CAS 13153-11-2

Catalog:	BB007437
Product Name:	Thietane 1-Oxide
CAS:	13153-11-2
Synonyms:	thietane 1-oxide; thietane 1-oxide

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Computed Properties

IUPAC Name:	thietane 1-oxide
Description:	Thietane 1-Oxide (CAS# 13153-11-2 ) is a useful research chemical.
Molecular Weight:	90.14
Molecular Formula:	C3H6OS
Canonical SMILES:	C1CS(=O)C1
InChI:	InChI=1S/C3H6OS/c4-5-2-1-3-5/h1-3H2
InChI Key:	GINSRDSEEGBTJO-UHFFFAOYSA-N
Boiling Point:	268.7 °C at 760 mmHg
Density:	1.3 g/cm³
Appearance:	Melting point = 31.5 deg c
LogP:	1.00450

Publication Number	Title	Priority Date
JP-2021125416-A	Lithium secondary battery and electrolyte	20200207
JP-2021155904-A	Fiber sizing agents, fiber bundles, textile products, resin compositions and molded articles	20200205
KR-20210083205-A	Novel organic eletron-transfer mediator and device comprising the same	20191226
WO-2021133144-A1	Novel organic electron transfer mediator and device comprising same	20191226
JP-2021096912-A	Power storage elements, non-aqueous electrolytes for power storage elements, compounds, and methods for manufacturing compounds	20191213

PMID	Publication Date	Title	Journal
20537874	20100901	Research and synthesis of organosilicon nonthrombogenic materials containing sulfobetaine group	Colloids and surfaces. B, Biointerfaces

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Complexity:	53.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	90.01393598
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	90.01393598
Rotatable Bond Count:	0
Topological Polar Surface Area:	36.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6