3-Hydroxy-4-methyl-2(3H)-thiazolethione - CAS 49762-08-5

Catalog:	BB026819
Product Name:	3-Hydroxy-4-methyl-2(3H)-thiazolethione
CAS:	49762-08-5
Synonyms:	3-hydroxy-4-methyl-1,3-thiazole-2-thione

Technical Data

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Computed Properties

IUPAC Name:	3-hydroxy-4-methyl-1,3-thiazole-2-thione
Description:	3-Hydroxy-4-methyl-2(3H)-thiazolethione (CAS# 49762-08-5) is a useful research chemical.
Molecular Weight:	147.22
Molecular Formula:	C4H5NOS2
Canonical SMILES:	CC1=CSC(=S)N1O
InChI:	InChI=1S/C4H5NOS2/c1-3-2-8-4(7)5(3)6/h2,6H,1H3
InChI Key:	LOKDIDVKVVVVHK-UHFFFAOYSA-N
Purity:	97 %
Density:	1.58 g/cm³
Appearance:	White to tan solid
MDL:	MFCD00077793
LogP:	1.82480

Publication Number	Title	Priority Date
CN-111999349-A	Detection method or kit for hydrogen peroxide	20190526
AU-2018344739-A1	Stereoselective process for preparing substituted polycyclic pyridone derivatives	20171006
KR-20200066644-A	Method for stereoselective production of substituted polycyclic pyridone derivatives	20171006
WO-2019070059-A1	Stereoselective preparation of substituted polycyclic pyridone derivatives	20171006
CN-111386276-A	Stereoselective process for preparing substituted polycyclic pyridone derivatives	20171006

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Related Functional Groups

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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:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	146.98125613
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	146.98125613
Rotatable Bond Count:	0
Topological Polar Surface Area:	80.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9