ChemicalBook--->CAS DataBase List--->2114-02-5

2114-02-5

2114-02-5 Structure

2114-02-5 Structure
IdentificationMore
[Name]

Amidinothiourea
[CAS]

2114-02-5
[Synonyms]

2-IMINO-4-THIOBIURET
AMIDINOTHIOUREA
[(AMINOCARBOTHIOYL)AMINO]METHANIMIDAMIDE
AMINOIMINOETHYL THIOUREA
GUANYLTHIOUREA
ZERENEX ZX006496
1-amidino-2-thiourea
Guanphenisin BP
Amidinothiourea, 98+%
Aminoiminomethyl thiourea
Guthimin
Thiodicyanodiamidine
Amidinothiourea, 99+%
GUANYLTHIOUREA/FAMOTIDINE
1-amidinothiourea
1-guanyl-2-thio-urea
2-Imino-4-thiobiurea
guthimine
gutimine
AMIDINOTHIOUREA/GUANYLTHIOUREA/2-IMINO-4-THIOBIURET
[EINECS(EC#)]

218-308-0
[Molecular Formula]

C2H6N4S
[MDL Number]

MFCD00014472
[Molecular Weight]

118.16
[MOL File]

2114-02-5.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white crystals or crystalline powder
[Melting point ]

171-173 °C(lit.)
[Boiling point ]

231.2±23.0 °C(Predicted)
[density ]

1.301 (estimate)
[refractive index ]

1.5605 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Crystalline Powder or Crystals
[pka]

11.89±0.70(Predicted)
[color ]

White to off-white
[PH]

8.87 at 24.1℃ and 10g/L
[Water Solubility ]

7 g/100 mL (20 ºC)
[BRN ]

1756620
[InChI]

InChI=1S/C2H6N4S/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
[InChIKey]

OKGXJRGLYVRVNE-UHFFFAOYSA-N
[SMILES]

N(C(N)=N)C(N)=S
[LogP]

1.8 at 30℃ and pH7.86
[CAS DataBase Reference]

2114-02-5(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P264-P271-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
[RIDADR ]

2811
[WGK Germany ]

3
[RTECS ]

YR8250000
[REACH Registrations]

Active
[PackingGroup ]

III
[HS Code ]

29309090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

mouse,LD50,intraperitoneal,1440mg/kg (1440mg/kg),Pharmaceutical Chemistry Journal Vol. 30, Pg. 181, 1996.
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrogen Sulfide-->Dicyandiamide-->1,4-Benzoquinone dioxime-->Dithiobiuret
[Preparation Products]

Famotidine-->(S)-((2-Guanidino-4-thiazolyl)methylisothiourea dihydrochloride-->3-(2-Guanidino-thiazol-4-yl-methylthio)-propionitrile-->2-(4-(Chloromethyl)thiazol-2-yl)guanidine-->ethyl 2-guanidino-4-methylthiazole-5-carboxylate-->N-[4-(3-Thienyl)-1,3-thiazol-2-yl]guanidine-->N-(4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)guanidine
Hazard InformationBack Directory
[Chemical Properties]

white to off-white crystals or crystalline powder
[Uses]

2-Imino-4-thiobiuret is used in the design and synthesis of guanylthiourea derivatives which are potential inhibitors of plasmodium falciparum dihydrofolate reductase enzyme. 2-Imino-4-thiobiuret is also used as a reagent in recyclization reactions of N-arylmaleimides with polynucleophilic compounds.
Spectrum DetailBack Directory
[Spectrum Detail]

Amidinothiourea(2114-02-5)MS
Amidinothiourea(2114-02-5)1HNMR
Amidinothiourea(2114-02-5)13CNMR
Amidinothiourea(2114-02-5)IR1
Amidinothiourea(2114-02-5)IR2
Amidinothiourea(2114-02-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Amidinothiourea, 99+%(2114-02-5)
[Alfa Aesar]

N-Amidinothiourea, 98+%(2114-02-5)
[Sigma Aldrich]

2114-02-5(sigmaaldrich)
[TCI AMERICA]

Guanylthiourea,>98.0%(T)(2114-02-5)
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