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2-Methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic Acid

2-Methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic Acid - CAS 6577-69-1

Catalog:	BB032827
Product Name:	2-Methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic Acid
CAS:	6577-69-1
Synonyms:	6-methyl-2,3-dihydro-1,4-oxathiin-5-carboxylic acid; 6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-methyl-2,3-dihydro-1,4-oxathiine-5-carboxylic acid
Description:	2-Methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic Acid (CAS# 6577-69-1) is a useful research chemical.
Molecular Weight:	160.19
Molecular Formula:	C6H8O3S
Canonical SMILES:	CC1=C(SCCO1)C(=O)O
InChI:	InChI=1S/C6H8O3S/c1-4-5(6(7)8)10-3-2-9-4/h2-3H2,1H3,(H,7,8)
InChI Key:	JMKSQPHJYIHKQU-UHFFFAOYSA-N
MDL:	MFCD00666851
LogP:	1.06590

Publication Number	Title	Priority Date
JP-2006290883-A	Substituted heterocyclic carboxylic acid anilide derivatives, intermediates thereof, agricultural and horticultural agents, and methods of use thereof	20050317
EP-1091958-A1	Salts of paroxetine	19980702
WO-0001692-A1	Salts of paroxetine	19980702
CA-2067381-C	Treatment of hiv infections and compounds useful therein	19891016
EP-0497816-A1	TREATMENT OF HIV INFECTIONS AND USEFUL LINKS THEREFOR.	19891016

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

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:	185
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.01941529
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.01941529
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0