Methoxycarbonylsulfenyl chloride - CAS 26555-40-8

Catalog:	BB019317
Product Name:	Methoxycarbonylsulfenyl chloride
CAS:	26555-40-8
Synonyms:	methyl chlorosulfanylformate

Technical Data

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Computed Properties

IUPAC Name:	methyl chlorosulfanylformate
Description:	Methoxycarbonylsulfenyl chloride (CAS# 26555-40-8) is a useful research chemical.
Molecular Weight:	126.56
Molecular Formula:	C2H3ClO2S
Canonical SMILES:	COC(=O)SCl
InChI:	InChI=1S/C2H3ClO2S/c1-5-2(4)6-3/h1H3
InChI Key:	TXJXPZVVSLAQOQ-UHFFFAOYSA-N
Boiling Point:	133-134 °C (lit.)
Purity:	95 %
Density:	1.399 g/mL at 25 °C (lit.)
Appearance:	Clear bright yellow liquid
Storage:	2-8 °C
MDL:	MFCD00013648
LogP:	1.63980

Publication Number	Title	Priority Date
WO-2021038431-A1	An improved process for the preparation of etelcalcetide hydrochloride	20190826
WO-2021005599-A1	Heterodimers and methods of use thereof	20190711
EP-3604386-A1	Degradable polyethylene glycol derivative having disulfide linker	20170330
JP-2018172651-A	Degradable polyethylene glycol derivatives with disulfide linkers	20170330
US-2020024391-A1	Degradable polyethylene glycol derivative having disulfide linker	20170330

PMID	Publication Date	Title	Journal
21854077	20110914	Nonvolatile S-alk(en)ylthio-L-cysteine derivatives in fresh onion (Allium cepa L. cultivar)	Journal of agricultural and food chemistry
17661449	20070823	Dissociative photoionization of methoxycarbonylsulfenyl chloride, CH3OC(O)SCl, following sulfur 2p, chlorine 2p, and oxygen 1s excitations	The journal of physical chemistry. A
11874339	20020311	Anomeric and mesomeric effects in methoxycarbonylsulfenyl chloride, CH(3)OC(O)SCl: an experimental and theoretical study	Inorganic chemistry

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile
[1879-16-9]
4-Methoxythioanisole

GHS Hazard Statement:	H226 (97.73%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	55.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.9542282
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	125.9542282
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4