4,4-Dimethyl-3-thiosemicarbazide - CAS 6926-58-5

Catalog:	BB033755
Product Name:	4,4-Dimethyl-3-thiosemicarbazide
CAS:	6926-58-5
Synonyms:	3-amino-1,1-dimethylthiourea

Technical Data

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Computed Properties

IUPAC Name:	3-amino-1,1-dimethylthiourea
Description:	4,4-Dimethyl-3-thiosemicarbazide (CAS# 6926-58-5) is a useful research chemical.
Molecular Weight:	119.19
Molecular Formula:	C3H9N3S
Canonical SMILES:	CN(C)C(=S)NN
InChI:	InChI=1S/C3H9N3S/c1-6(2)3(7)5-4/h4H2,1-2H3,(H,5,7)
InChI Key:	FCPHVJQWZFNNKD-UHFFFAOYSA-N
Boiling Point:	171.3 °C at 760 mmHg
Density:	1.159 g/cm³
Appearance:	Off-white powder
MDL:	MFCD00041308
LogP:	0.38740

Publication Number	Title	Priority Date
CN-112341479-A	Synthetic method and application of binuclear zinc complex	20201113
CN-112250697-A	Gold complex with o-vanillin thiosemicarbazone as ligand and synthetic method thereof	20201023
CN-111925398-A	FTO (fluorine-doped tin oxide) small-molecule inhibitor palladium complex and synthesis method thereof	20200922
CN-112079851-A	Gold complex of FTO (fluorine-doped tin oxide) small-molecule inhibitor and synthetic method thereof	20200922
CN-112062789-A	Palladium complex taking 2-acetylpyridine thiosemicarbazone as ligand and synthetic method thereof	20200922

PMID	Publication Date	Title	Journal
22199715	20111201	(Z)-N,N-Dimethyl-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazinecarbothio-amide	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H301 (13.64%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P301+P312, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	70.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	119.05171847
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	119.05171847
Rotatable Bond Count:	0
Topological Polar Surface Area:	73.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3