1,4-Butanesultam - CAS 37441-50-2

Catalog:	BB023285
Product Name:	1,4-Butanesultam
CAS:	37441-50-2
Synonyms:	thiazinane 1,1-dioxide; thiazinane 1,1-dioxide

Technical Data

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Computed Properties

IUPAC Name:	thiazinane 1,1-dioxide
Description:	1,4-Butanesultam (CAS# 37441-50-2) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	135.18
Molecular Formula:	C4H9NO2S
Canonical SMILES:	C1CCS(=O)(=O)NC1
InChI:	InChI=1S/C4H9NO2S/c6-8(7)4-2-1-3-5-8/h5H,1-4H2
InChI Key:	DNGMYXZLJGHHOM-UHFFFAOYSA-N
Boiling Point:	239.2 °C at 760 mmHg
Density:	1.239 g/cm³
MDL:	MFCD04038916
LogP:	1.10920

Publication Number	Title	Priority Date
WO-2021028382-A1	[1,2,4]triazolo[1,5-c]quinazolin-5-amines	20190812
CN-110372628-A	Interior sulfamide compound and preparation method thereof	20190709
WO-2020237079-A1	Centrally active and orally bioavailable uncharged bisoxime antidotes for organophosphate poisoning and methods for making and using them	20190523
WO-2020194209-A1	Isothiazolidine 1,1-dioxide and 1,4-butan sultone containing rapamycin derivatives and uses thereof	20190326
WO-2019140254-A1	Multicyclic compounds and use of same for treating tuberculosis	20180112

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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:	155
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:	54.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2