N-Ethylthiourea - CAS 625-53-6

Catalog:	BB031659
Product Name:	N-Ethylthiourea
CAS:	625-53-6
Synonyms:	ethylthiourea

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Computed Properties

IUPAC Name:	ethylthiourea
Description:	N-Ethylthiourea (CAS# 625-53-6) is a bactericidal precursor.
Molecular Weight:	104.17
Molecular Formula:	C3H8N2S
Canonical SMILES:	CCNC(=S)N
InChI:	InChI=1S/C3H8N2S/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)
InChI Key:	GMEHFXXZSWDEDB-UHFFFAOYSA-N
Purity:	98 %
Density:	1.182 g/cm³
Appearance:	White crystalline powder
LogP:	0.93070
Vapor Pressure:	0.67 [mmHg]

Publication Number	Title	Priority Date
WO-2015191436-A1	Curable compositions and methods for isolating a working area	20140613
WO-2015127416-A1	Compositions of pentosan polysulfate salts for oral administration and methods of use	20140224
WO-2015126657-A1	Addition-fragmentation oligomers having high refractive index groups	20140218
WO-2015090850-A1	Use of alkylamidothiazoles as an antioxidant or free-radical scavenger in cosmetic or dermatological preparations	20131219
WO-2015090851-A1	Use of alkylamidothiazoles in cosmetic or dermatological preparations for the prophylaxis or treatment of sensitive skin	20131219

PMID	Publication Date	Title	Journal
20422096	20100514	Structural and spectroscopic studies of some adducts of silver(I) halides with thiourea and N-ethyl substituted thioureas	Dalton transactions (Cambridge, England : 2003)
17559303	20070601	A molecular link between malaria and Epstein-Barr virus reactivation	PLoS pathogens
17515292	20070101	In vivo pharmacokinetics and toxicity of a novel hydrophilic oral formulation of the potent non-nucleoside reverse transcriptase inhibitor compound N'-[2-(2-thiophene)ethyl]-N'-[2-(5-bromopyridyl)]-thiourea (HI-443)	Arzneimittel-Forschung
16684951	20060601	Increased oxidative stress in lambs with increased pulmonary blood flow and pulmonary hypertension: role of NADPH oxidase and endothelial NO synthase	American journal of physiology. Lung cellular and molecular physiology
16704217	20060501	A new class of Gd-based DO3A-ethylamine-derived targeted contrast agents for MR and optical imaging	Bioconjugate chemistry

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	52.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	104.04081944
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	104.04081944
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2