O-(p-Tolyl) chlorothionoformate - CAS 937-63-3

Catalog:	BB041068
Product Name:	O-(p-Tolyl) chlorothionoformate
CAS:	937-63-3
Synonyms:	O-(4-methylphenyl) chloromethanethioate

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Computed Properties

IUPAC Name:	O-(4-methylphenyl) chloromethanethioate
Description:	O-(p-Tolyl) chlorothionoformate (CAS# 937-63-3) is a useful research chemical.
Molecular Weight:	186.66
Molecular Formula:	C8H7ClOS
Canonical SMILES:	CC1=CC=C(C=C1)OC(=S)Cl
InChI:	InChI=1S/C8H7ClOS/c1-6-2-4-7(5-3-6)10-8(9)11/h2-5H,1H3
InChI Key:	UNCAXIZUVRKBMN-UHFFFAOYSA-N
Boiling Point:	244 °C
Density:	1.225 g/mL at 25 °C (lit.)
Appearance:	Clear yellow liquid
MDL:	MFCD00014466
LogP:	2.89750

Publication Number	Title	Priority Date
WO-2021030763-A1	Modified oligomeric compounds and uses thereof	20190815
WO-2020072991-A1	Modified oligomeric compounds and uses thereof	20181005
EP-3861118-A1	Modified oligomeric compounds and uses thereof	20181005
US-2021040127-A1	Arginase inhibitors and methods of use	20180313
AU-2018358346-A1	Modulators of the integrated stress pathway	20171102

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.9906137
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.9906137
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8