N-Methylthiourea - CAS 598-52-7

Catalog:	BB030529
Product Name:	N-Methylthiourea
CAS:	598-52-7
Synonyms:	methylthiourea

Technical Data

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Computed Properties

IUPAC Name:	methylthiourea
Description:	N-Methylthiourea (CAS# 598-52-7) is a useful research chemical.
Molecular Weight:	90.15
Molecular Formula:	C2H6N2S
Canonical SMILES:	CNC(=S)N
InChI:	InChI=1S/C2H6N2S/c1-4-2(3)5/h1H3,(H3,3,4,5)
InChI Key:	KQJQICVXLJTWQD-UHFFFAOYSA-N
Boiling Point:	141.1 °C at 760 mmHg
Density:	1.14 g/cm³
MDL:	MFCD00004938
LogP:	0.54060

Publication Number	Title	Priority Date
CN-113416149-A	Biaryl axial chiral compound synthesized by nitrogen heterocyclic carbene catalysis and preparation method thereof	20210803
JP-2021138753-A	Pest control method for harmful arthropods using heterocyclic compounds	20210610
CN-113430437-A	High-strength cast magnesium alloy and preparation method thereof	20210603
CN-113211905-A	Composite heat-insulation color steel plate for cold storage roof and preparation method thereof	20210520
CN-113292721-A	Polythiourea compound and preparation method and application thereof	20210519

PMID	Publication Date	Title	Journal
22941482	20120801	N-methylthioureas as new agonists of retinoic acid receptor-related orphan receptor	Archives of pharmacal research
22606107	20120401	1-(2-Hy-droxy-eth-yl)-3-phenyl-thio-urea	Acta crystallographica. Section E, Structure reports online
22423294	20120101	Synthesis, solid-state fluorescence properties, and computational analysis of novel 2-aminobenzo[4,5]thieno[3,2-d]pyrimidine 5,5-dioxides	Beilstein journal of organic chemistry
21669199	20111001	Manganese porphyrin reduces retinal injury induced by ocular hypertension in rats	Experimental eye research
21463160	20110901	Inhibition of iNOS reduces the therapeutic effects of ozone in acute necrotizing pancreatitis: an in vivo animal study	Scandinavian journal of clinical and laboratory investigation

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GHS Hazard Statement:	H300 (95.74%): Fatal if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P201, P202, P264, P270, P281, P301+P310, P308+P313, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	42.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	90.02516937
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	90.02516937
Rotatable Bond Count:	0
Topological Polar Surface Area:	70.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7