4-Methyl-3-thiosemicarbazide - CAS 6610-29-3

Catalog:	BB032915
Product Name:	4-Methyl-3-thiosemicarbazide
CAS:	6610-29-3
Synonyms:	1-amino-3-methylthiourea

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-amino-3-methylthiourea
Description:	4-Methyl-3-thiosemicarbazide (CAS# 6610-29-3) is a useful research chemical.
Molecular Weight:	105.16
Molecular Formula:	C2H7N3S
Canonical SMILES:	CNC(=S)NN
InChI:	InChI=1S/C2H7N3S/c1-4-2(6)5-3/h3H2,1H3,(H2,4,5,6)
InChI Key:	PTVZQOAHCSKAAS-UHFFFAOYSA-N
Boiling Point:	168.4 °C at 760 mmHg
Density:	1.197 g/cm³
Appearance:	White to almost white crystalline powder
MDL:	MFCD00007617
LogP:	0.43610

Publication Number	Title	Priority Date
CN-112499869-A	Treatment method of thiourea-containing chemical organic wastewater	20201201
CN-112321609-A	Antibiotic improved cefmenoxime hydrochloride synthesis process	20201119
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

PMID	Publication Date	Title	Journal
22590337	20120501	1-{(E)-[4-(4-Meth-oxy-phen-yl)butan-2-yl-idene]amino}-3-methyl-thio-urea	Acta crystallographica. Section E, Structure reports online
22346800	20120201	Bis{2-[3-(hy-droxy-imino-κN)butan-2-yl-idene]-N-methyl-hydrazinecarbothio-amide-κN,S}nickel(II) dichloride	Acta crystallographica. Section E, Structure reports online
22259468	20120101	(E)-2-[(E)-3-(Hy-droxy-imino)-butan-2-yl-idene]-N-methyl-hydrazinecarbothio-amide	Acta crystallographica. Section E, Structure reports online
21608132	20110801	Discovery of adamantyl heterocyclic ketones as potent 11β-hydroxysteroid dehydrogenase type\u20051 inhibitors	ChemMedChem
22091093	20110801	4-Methyl-1-[4-(methyl-sulfan-yl)benzyl-idene]thio-semicarbazide	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One

GHS Hazard Statement:	H300 (100%): Fatal 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:	105.03606841
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	105.03606841
Rotatable Bond Count:	0
Topological Polar Surface Area:	82.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8