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34840-23-8

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34840-23-8 Structure

34840-23-8 Structure
IdentificationBack Directory
[Name]

1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudoeura
[CAS]

34840-23-8
[Synonyms]

Fenbendazole Thiourea Compound
2-Methylisothiourea-1,3-dicarboxylate
1,3-Bis(carbomethoxy)-S-methylisothiourea
1,3-bis(methoxycarbonyl)-S-methylisothiourea
3-Bis(Methoxycarbonyl)-2-Methyl-2-thiopseudourea
1,3-BIS(METHOXYCARBONYL)-2-METHYL-2-THIO-PSEUDOUR
1,3-BIS(METHOXYCARBONYL)-2-METHYL-2-THIOPSEUDOEURA
1,3-BIS(METHOXYCARBONYL)-2-METHYL-2-THIOPSEUDOUREA
1,3-Bis(Methoxycarbonyl)-2-Methyl-2-thiopseudourea 97%
methyl [[(methoxycarbonyl)amino](methylthio)methylene]carbamate
methyl (NE)-N-[(methoxycarbonylamino)-methylsulfanylmethylidene]carbamate
methyl N-[(E)-[(methoxycarbonyl)amino](methylsulfanyl) methylidene]carbamate
[[[(Methoxycarbonyl)amino](methylthio)methylene]amino]formic acid methyl ester
Carbamic acid, N-[[(methoxycarbonyl)amino](methylthio)methylene]-, methyl ester
[EINECS(EC#)]

252-240-2
[Molecular Formula]

C6H10N2O4S
[MDL Number]

MFCD00674104
[MOL File]

34840-23-8.mol
[Molecular Weight]

206.22
Chemical PropertiesBack Directory
[Melting point ]

102-105 °C(lit.)
[density ]

1.30±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C, stored under nitrogen
[form ]

solid
[pka]

6.38±0.46(Predicted)
[color ]

White
[Water Solubility ]

1.2g/L at 15℃
[InChI]

1S/C6H10N2O4S/c1-11-5(9)7-4(13-3)8-6(10)12-2/h1-3H3,(H,7,8,9,10)
[InChIKey]

KHBXLYPOXVQKJG-UHFFFAOYSA-N
[SMILES]

COC(=O)N\C(SC)=N/C(=O)OC
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[HS Code ]

2930909899
[Storage Class]

13 - Non Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea may be used in the following syntheses:
  • methyl (6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)carbamate
  • 2-amino-5-benzyl-6-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
  • methyl-{5-[(3-hydroxypropyl)thio]-1H-benzo[d]imidazol-2-yl}carbamate (hydroxyalbendazole)
  • methyl-{5-[(4-hydroxyphenyl)thio]-1H-benzo[d]imidazol-2-yl} carbamate (hydroxyfenbendazole)
[General Description]

1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudourea is a thiourea derivative.
Spectrum DetailBack Directory
[Spectrum Detail]

1,3-Bis(methoxycarbonyl)-2-methyl-2-thiopseudoeura(34840-23-8)1HNMR
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