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1,2-Dimethyl-2-thiopseudourea hydriodide

1,2-Dimethyl-2-thiopseudourea hydriodide - CAS 41306-45-0

Catalog:	BB024853
Product Name:	1,2-Dimethyl-2-thiopseudourea hydriodide
CAS:	41306-45-0
Synonyms:	methyl N'-methylcarbamimidothioate;hydroiodide

Technical Data

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Computed Properties

IUPAC Name:	methyl N'-methylcarbamimidothioate;hydroiodide
Description:	1,2-Dimethyl-2-thiopseudourea hydriodide (CAS# 41306-45-0) is a useful research chemical.
Molecular Weight:	232.09
Molecular Formula:	C3H9IN2S
Canonical SMILES:	CN=C(N)SC.I
InChI:	InChI=1S/C3H8N2S.HI/c1-5-3(4)6-2;/h1-2H3,(H2,4,5);1H
InChI Key:	UDUMWDDMSHXGGQ-UHFFFAOYSA-N
Boiling Point:	237.7 °C at 760 mmHg
Melting Point:	134-136 °C
Purity:	98 %
Appearance:	Crystalline powder
MDL:	MFCD00192092
LogP:	1.99240

Publication Number	Title	Priority Date
WO-2021069567-A1	Novel heteroaryl-triazole compounds as pesticides	20191009
JP-6146312-B2	Method for producing cyclic carbonate	20111202
JP-WO2013081157-A1	Method for producing cyclic carbonate	20111202
WO-2013081157-A1	Process for producing cyclic carbonate	20111202
EP-2326327-B1	Analogs of indole-3-carbinol and their use as agents against infection	20080917

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GHS Hazard Statement:	H315 (90.48%): 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:	59.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.95312
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	231.95312
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0