Chlorocarbonylsulfenyl chloride - CAS 2757-23-5

Catalog:	BB019614
Product Name:	Chlorocarbonylsulfenyl chloride
CAS:	2757-23-5
Synonyms:	S-chloro chloromethanethioate

Technical Data

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Computed Properties

IUPAC Name:	S-chloro chloromethanethioate
Description:	Chlorocarbonylsulfenyl chloride (CAS# 2757-23-5) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	130.98
Molecular Formula:	CCl2OS
Canonical SMILES:	C(=O)(SCl)Cl
InChI:	InChI=1S/CCl2OS/c2-1(4)5-3
InChI Key:	MNOALXGAYUJNKX-UHFFFAOYSA-N
Boiling Point:	98 °C
Density:	1.58 g/cm³
MDL:	MFCD00000703
LogP:	2.23220

Publication Number	Title	Priority Date
WO-2021195066-A2	Kcnt1 inhibitors and methods of use	20200323
US-2021238134-A1	Alkylamine-substituted perthiocarbamates as dual precursors to hydropersulfide and carbonyl sulfide	20200203
KR-20210074208-A	Atomic layer etching	20191210
US-2021175088-A1	Atomic layer etching	20191210
WO-2021063967-A1	Novel substituted 6,7-dihydro-5h-benzo[7]annulene compounds, processes for their preparation and therapeutic uses thereof	20191001

PMID	Publication Date	Title	Journal
22347061	20120201	4-(5-Oxo-5H-1,2,4-dithia-zol-3-yl)phenyl 4-methyl-benzene-sulfonate	Acta crystallographica. Section E, Structure reports online
21588595	20100811	5-Ethyl-5-methyl-4-phenyl-5H-1,2,4-triazol-3(4H)-thione	Acta crystallographica. Section E, Structure reports online
21582013	20090131	4-Methyl-N-(3-oxo-2,3-dihydro-1,2-benzisothia-zol-2-yl)benzene-sulfonamide	Acta crystallographica. Section E, Structure reports online
16263102	20060116	Synthesis, structure and reactivity of 5-pyranosyl-1,3,4-oxathiazol-2-ones	Carbohydrate research
16833348	20050120	Ionic fragmentation on ClC(O)SCl. Evidence of a highly charged molecular ion and confirmation of unusual dissociation mechanisms for halocarbonylsulfenyl chlorides	The journal of physical chemistry. A

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Related Functional Groups

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[85-47-2]
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[162894-76-0]
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3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	44.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	129.9046912
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	129.9046912
Rotatable Bond Count:	0
Topological Polar Surface Area:	42.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1