3-Methylrhodanine - CAS 4807-55-0

Catalog:	BB026489
Product Name:	3-Methylrhodanine
CAS:	4807-55-0
Synonyms:	3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

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Computed Properties

IUPAC Name:	3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Description:	3-Methylrhodanine (CAS# 4807-55-0 ) is a useful research chemical.
Molecular Weight:	147.22
Molecular Formula:	C4H5NOS2
Canonical SMILES:	CN1C(=O)CSC1=S
InChI:	InChI=1S/C4H5NOS2/c1-5-3(6)2-8-4(5)7/h2H2,1H3
InChI Key:	JKLZCQWVERBDEZ-UHFFFAOYSA-N
Boiling Point:	213.4 °C at 760 mmHg
Melting Point:	69-71 °C(lit.)
Purity:	95 %
Density:	1.48 g/cm³
Appearance:	White to yellow solid
LogP:	0.41440

Publication Number	Title	Priority Date
WO-2020205646-A2	Small molecule parg inhibitors and methods of use thereof	20190329
CN-108976222-A	Biaryl Oxazolidinone compound containing heterocycle and preparation method thereof	20180921
CN-108976222-B	Heterocyclic ring-containing biaryl oxazolidinone compound and preparation method thereof	20180921
WO-2020013246-A1	Photoelectric conversion element, imaging element, optical sensor, and compound	20180713
CN-112400240-A	Photoelectric conversion element, imaging element, photosensor, and compound	20180713

PMID	Publication Date	Title	Journal
21780199	20110829	Synthesis, electronic, and electro-optical properties of emissive solvatochromic phenothiazinyl merocyanine dyes	Chemistry (Weinheim an der Bergstrasse, Germany)
16279768	20051117	SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors	Journal of medicinal chemistry
15448970	20041001	Determination of acidity constants of enolisable compounds by capillary electrophoresis	Analytical and bioanalytical chemistry
11714312	20011101	N-heterocyclic derivatives of 2,4-dihydroxybenzcarbothioamide as antimycotic agents	Journal of agricultural and food chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	145
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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	146.98125613
Rotatable Bond Count:	0
Topological Polar Surface Area:	77.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9