3-Oxetanyl p-Toluenesulfonate - CAS 26272-83-3

Catalog:	BB019222
Product Name:	3-Oxetanyl p-Toluenesulfonate
CAS:	26272-83-3
Synonyms:	4-methylbenzenesulfonic acid 3-oxetanyl ester; oxetan-3-yl 4-methylbenzenesulfonate

Technical Data

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Computed Properties

IUPAC Name:	oxetan-3-yl 4-methylbenzenesulfonate
Description:	3-Oxetanyl p-Toluenesulfonate (CAS# 26272-83-3) is a useful research chemical.
Molecular Weight:	228.26
Molecular Formula:	C10H12O4S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)OC2COC2
InChI:	InChI=1S/C10H12O4S/c1-8-2-4-10(5-3-8)15(11,12)14-9-6-13-7-9/h2-5,9H,6-7H2,1H3
InChI Key:	UMFWNFVHKAJOSE-UHFFFAOYSA-N
Boiling Point:	371.6 °C at 760 mmHg
Density:	1.34 g/cm³
MDL:	MFCD08544401
LogP:	2.17990

Publication Number	Title	Priority Date
CN-111333587-A	Substituted pyrimidine-2, 4(1H,3H) -dione derivatives and uses thereof	20200411
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
WO-2021127499-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20191218
CN-111072675-A	Nitrogen-containing fused tricyclic derivatives and uses thereof	20191212
KR-20210065883-A	Novel quinazoline redox derivatives and their use as bet inhibitors	20191126

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Related Functional Groups

Carbonyl Compounds

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[17746-05-3]
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[1035840-45-9]
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[2168559-63-3]
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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.04563003
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.04563003
Rotatable Bond Count:	3
Topological Polar Surface Area:	61 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3