| Identification | More | [Name]
2-Benzyl-2-thiopseudourea hydrochloride | [CAS]
538-28-3 | [Synonyms]
2-BENZYL-2-THIOPSEUDOUREA, HCL
2-BENZYL-2-THIOPSEUDOUREA HYDROCHLORIDE
2-BENZYLISOTHIOURONIUM CHLORIDE
AMINO(BENZYLSULFANYL)METHANIMINIUM CHLORIDE
BENZYLISOTHIOUREA HYDROCHLORIDE
BENZYLISOTHIOURONIUM CHLORIDE
BENZYLTHIOURONIUM CHLORIDE
S-BENZYLISOTHIOUREA HYDROCHLORIDE
S-BENZYLISOTHIOURONIUM CHLORIDE
S-BENZYLISOTHIURONIUM CHLORIDE
S-BENZYLTHIOPSEUDOUREA HYDROCHLORIDE
S-BENZYLTHIOURONIUM CHLORIDE
S-BENZYLTHIURONIUM CHLORIDE
SBT
U-19451A
2-benzyl-2-thio-pseudourehydrochloride
2-benzyl-2-thio-pseudouremonohydrochloride
2-thio-2-benzyl-pseudourehydrochloride
Benzyl-iso-thioureahydrochlor
benzyl-isothiouroniumchlorid | [EINECS(EC#)]
208-688-6 | [Molecular Formula]
C8H11ClN2S | [MDL Number]
MFCD00012583 | [Molecular Weight]
202.7 | [MOL File]
538-28-3.mol |
| Chemical Properties | Back Directory | [Appearance]
off-white to light beige crystalline powder | [Melting point ]
172-177 °C | [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
methanol: soluble1g/10 mL, clear, colorless to very faintly yellow | [form ]
powder to crystal | [color ]
White | [Water Solubility ]
250 g/L (15 ºC) | [Sensitive ]
Hygroscopic | [Merck ]
14,1146 | [BRN ]
3656719 | [InChI]
InChI=1S/C8H10N2S.ClH/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H3,9,10);1H | [InChIKey]
WJAASTDRAAMYNK-UHFFFAOYSA-N | [SMILES]
C1(C=CC=CC=1)CSC(=N)N.Cl | [CAS DataBase Reference]
538-28-3(CAS DataBase Reference) | [EPA Substance Registry System]
538-28-3(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
R25:Toxic if swallowed. | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2811 6.1/PG 2
| [WGK Germany ]
3
| [RTECS ]
UM0738000
| [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
II | [HS Code ]
29309070 | [Toxicity]
LD50 oral in rat: 27mg/kg |
| Hazard Information | Back Directory | [Chemical Properties]
off-white to light beige crystalline powder | [Uses]
Reagent for cobalt and nickel; identification and separation of carboxylic, sulfinic, and sulfonic acid. | [General Description]
S-benzylisothiourea analogs (2-benzyl-2-thiopseudourea hydrochloride), as small-molecule inhibitors of indoleamine-2,3-dioxygenase, has been studied. | [Safety Profile]
Poison by ingestion,intraperitoneal, subcutaneous, and intravenous routes.When heated to decomposition it emits very toxic fumesof HCl, SOx, and NOx. | [Synthesis]
GENERAL METHOD: Benzyl chloride (3 mmol) was dissolved with thiourea (3 mmol) in anhydrous ethanol (2 mL) and the reaction was refluxed at 95°C for 2 hours. Upon completion of the reaction, the mixture was cooled to room temperature and stirring was continued for 12 hours. The resulting precipitate was collected by filtration and washed with cold anhydrous ethanol to give the final S-benzylthiourea hydrochloride. | [Purification Methods]
Crystallise the chloride from 0.2M HCl (2mL/g) or EtOH and it dry in air. [Beilstein 6 III 1600.] | [References]
[1] Analytical Chemistry, 1987, vol. 59, # 4, p. 562 - 567
[2] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 8, p. 2426 - 2431
[3] Journal of Pharmaceutical Sciences, 1984, vol. 73, # 3, p. 374 - 377
[4] European Journal of Organic Chemistry, 2002, # 7, p. 1163 - 1174
[5] Chemische Berichte, 1879, vol. 12, p. 575 |
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