N,N'-Dimethylthiourea - CAS 534-13-4

Catalog:	BB028207
Product Name:	N,N'-Dimethylthiourea
CAS:	534-13-4
Synonyms:	1,3-dimethylthiourea

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Computed Properties

IUPAC Name:	1,3-dimethylthiourea
Description:	N,N'-Dimethylthiourea (CAS# 534-13-4) is a degradation product of Betamethasone. Glucocorticoid.
Molecular Weight:	104.17
Molecular Formula:	C3H8N2S
Canonical SMILES:	CNC(=S)NC
InChI:	InChI=1S/C3H8N2S/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)
InChI Key:	VLCDUOXHFNUCKK-UHFFFAOYSA-N
Boiling Point:	155 °C at 1pHa
Melting Point:	58-64 °C
Purity:	95 %
Density:	1.034 g/cm³
Appearance:	Off-white crystalline powder
MDL:	MFCD00004923
LogP:	0.49190

Publication Number	Title	Priority Date
CN-113354529-A	Method for synthesizing 2, 2-dimethylolpropionic acid by using byproduct 2-hydroxymethylpropanal of BDO device	20210514
CN-113088981-A	Preparation, treatment and regeneration method of stainless steel pickling passivation solution	20210410
JP-6892566-B1	Aqueous binder for inorganic fiber heat insulating and sound absorbing material and inorganic fiber heat insulating and sound absorbing material	20210302
CN-112552244-A	Production process of 4, 6-dimethoxy-2-methylsulfonyl pyrimidine	20201222
CN-112961660-A	Flowback-free fine blocking remover and preparation method thereof	20201217

PMID	Publication Date	Title	Journal
25817889	20150612	Antioxidants and NOS inhibitors selectively targets manganese-induced cell volume via Na-K-Cl cotransporter-1 in astrocytes	Brain research
25461681	20150101	Suppression of c-Myc is involved in multi-walled carbon nanotubes' down-regulation of ATP-binding cassette transporters in human colon adenocarcinoma cells	Toxicology and applied pharmacology
24631677	20140516	Dopamine down-regulation of protein L-isoaspartyl methyltransferase is dependent on reactive oxygen species in SH-SY5Y cells	Neuroscience
23384965	20130409	Interleukin-6 modulates oxidative stress produced during the development of cisplatin nephrotoxicity	Life sciences
22692000	20121101	Cadmium induces hydrogen peroxide production and initiates hydrogen peroxide-dependent apoptosis in the gill of freshwater crab, Sinopotamon henanense	Comparative biochemistry and physiology. Toxicology & pharmacology : CBP

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GHS Hazard Statement:	H301 (25.85%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P310, P301+P312, P302+P352, P312, P321, P322, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	46.8
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:	0
Topological Polar Surface Area:	56.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2