1-(Ethanesulfonyl)piperazine - CAS 62937-96-6

Catalog:	BB031890
Product Name:	1-(Ethanesulfonyl)piperazine
CAS:	62937-96-6
Synonyms:	1-ethylsulfonylpiperazine

Technical Data

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Computed Properties

IUPAC Name:	1-ethylsulfonylpiperazine
Description:	1-(Ethanesulfonyl)piperazine (CAS# 62937-96-6) is a useful research chemical.
Molecular Weight:	178.25
Molecular Formula:	C6H14N2O2S
Canonical SMILES:	CCS(=O)(=O)N1CCNCC1
InChI:	InChI=1S/C6H14N2O2S/c1-2-11(9,10)8-5-3-7-4-6-8/h7H,2-6H2,1H3
InChI Key:	BIYGAOBOLDXNHM-UHFFFAOYSA-N
Boiling Point:	110-112 °C / 0.1 mmHg
Density:	1.24 g/cm³
MDL:	MFCD02093528
LogP:	0.58880

Publication Number	Title	Priority Date
WO-2021112626-A1	Novel indirubin derivative and use thereof	20191206
TW-202045489-A	Protein secretion inhibitors	20190228
WO-2020176863-A1	Thiazole derivatives as protein secretion inhibitors	20190228
WO-2020076996-A1	Covalent targeting of e3 ligases	20181009
CN-113164495-A	Covalent targeting of E3 ligase	20181009

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GHS Hazard Statement:	H302 (100%): 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:	201
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.07759887
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.07759887
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8