U 19451A

Names

[ CAS No. ]:
538-28-3

[ Name ]:
U 19451A

[Synonym ]:
Carbamimidothioic acid, phenylmethyl ester, hydrochloride (1:1)
btkh
usafek-2124
Pseudourea, 2-benzyl-2-thio-, monohydrochloride
MFCD00012583
benzylthiouronium chloride
S-Benzylthiopseudourea hydrochloride
2-Benzyl-2-thiopseudourea Hydrochloride
Pseudourea, 2-benzyl-2-thio-, hydrochloride
S-Benzylisothiourea hydrochloride
tl944
2-BENZYL-ISOTHIOUREA
Benzyl thiopseudourea hydrochloride
S-Benzylthiuronium Chloride
Carbamimidothioic Acid Phenylmethyl Ester Monohydrochloride
EINECS 208-688-6
S-(benzyl)isothiourea hydrochloride
U 19451A
SBT
S-benzylisothiouronium hydrochloride
benzyl Isothiourea HCl
benzylthiuroniumchloride
Benzylthiuronium salt
Benzyl carbamimidothioate hydrochloride (1:1)
Pseudourea, 2-thio-2-benzyl-, hydrochloride
2-benzyl-2-thio-pseudourea hydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
283.2ºC at 760mmHg

[ Melting Point ]:
172-177 °C

[ Molecular Formula ]:
C₈H₁₁ClN₂S

[ Molecular Weight ]:
202.704

[ Flash Point ]:
125.1ºC

[ Exact Mass ]:
202.033142

[ PSA ]:
75.17000

[ LogP ]:
3.41530

[ Water Solubility ]:
250 g/L (15 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UM0738000

CHEMICAL NAME :: Pseudourea, 2-benzyl-2-thio-, monohydrochloride

CAS REGISTRY NUMBER :: 538-28-3

LAST UPDATED :: 199701

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C8-H10-N2-S.Cl-H

MOLECULAR WEIGHT :: 202.72

WISWESSER LINE NOTATION :: MUYZS1R &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 27 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 27(2),52,1983

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 170 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: URXXAF U.S.S.R. Patent Document. (Gosudarstvennyi Komitet SSSR po Delam Izobretenii i Otkrytii, Malyi Tcherkasski pereulok 2/6, Moscow, Russia). Volume(issue)/page/year: #0822829

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 80 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NDRC** National Defense Research Committee, Office of Scientific Research and Development, Progress Report. Volume(issue)/page/year: No.9-4-1-9,1943

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 32 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#00167

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300

[ Precautionary Statements ]:
P264-P301 + P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T:Toxic;

[ Risk Phrases ]:
R25

[ Safety Phrases ]:
S36/37/39-S45-S28A

[ RIDADR ]:
UN 2811 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
UM0738000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
29309070

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2930909090

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase.

Bioorg. Med. Chem. Lett. 20 , 5126-9, (2010)

S-benzylisothiourea 3a was discovered by its ability to inhibit indoleamine-2,3-dioxygenase (IDO) in our screening program. Subsequent optimization of the initial hit 3a lead to the identification of ...