ChemicalBook--->CAS DataBase List--->538-28-3

538-28-3

538-28-3 Structure

538-28-3 Structure
IdentificationMore
[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 PropertiesBack 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
[CAS DataBase Reference]

538-28-3(CAS DataBase Reference)
[EPA Substance Registry System]

538-28-3(EPA Substance)
Safety DataBack 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
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzyl chloride
[Preparation Products]

Benzyl mercaptan-->o-methoxycarbonyl benzyl sulfonyl chloride-->3-(benzylsulfanyl)-5-chloro-1,2,4-thiadiazole
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Benzylisothiouronium chloride(538-28-3).msds
Hazard InformationBack 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.
[Purification Methods]

Crystallise the chloride from 0.2M HCl (2mL/g) or EtOH and it dry in air. [Beilstein 6 III 1600.]
Spectrum DetailBack Directory
[Spectrum Detail]

2-Benzyl-2-thiopseudourea hydrochloride(538-28-3)MS
2-Benzyl-2-thiopseudourea hydrochloride(538-28-3)1HNMR
2-Benzyl-2-thiopseudourea hydrochloride(538-28-3)13CNMR
2-Benzyl-2-thiopseudourea hydrochloride(538-28-3)IR1
2-Benzyl-2-thiopseudourea hydrochloride(538-28-3)IR2
2-Benzyl-2-thiopseudourea hydrochloride(538-28-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2-Benzyl-2-thiopseudourea hydrochloride, 99%(538-28-3)
[Alfa Aesar]

S-Benzylisothiouronium chloride, 98+%(538-28-3)
[Sigma Aldrich]

538-28-3(sigmaaldrich)
[TCI AMERICA]

S-Benzylisothiourea Hydrochloride,>99.0%(T)(538-28-3)
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