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
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
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
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 ...