S-Benzylisothiouronium chloride, 98+%, Thermo Scientific™

Description

This Thermo Scientific brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific.

Applications
It has been studied as a small-molecule inhibitor of indoleamine-2,3-dioxygenase.

Solubility
Soluble in water and methanol.

Notes
Hygroscopic. Store in cool dry place. Keep away from oxidizing agent

Specifications

Chemical Identifiers

• CAS: 538-28-3
• Molecular Formula: C8H11ClN2S
• Molecular Weight (g/mol): 202.7
• MDL Number: MFCD00012583
• InChI Key: WJAASTDRAAMYNK-UHFFFAOYSA-N
• Synonym: s-benzylisothiourea hydrochloride, 2-benzyl-2-thiopseudourea hydrochloride, btkh, s-benzylthiuronium chloride, benzyl carbamimidothioate hydrochloride, s-benzylthiouronium chloride, benzylisothiourea hydrochloride, benzylthiuronium chloride, 2-benzylisothiouronium chloride, benzylisothiuronium chloride
• PubChem CID: 10852
• IUPAC Name: benzyl carbamimidothioate;hydrochloride
• SMILES: C1=CC=C(C=C1)CSC(=N)N.Cl

• Melting Point: 173°C to 176°C
• Quantity: 50 g
• UN Number: UN2811
• Beilstein: 3656719
• Merck Index: 14,1146
• Formula Weight: 202.7
• Percent Purity: ≥98%
• Chemical Name or Material: S-Benzylisothiouronium chloride

Safety and Handling

Hazard Category	Danger
Hazard Statement	GHS H Statement H301 Toxic if swallowed.
Precautionary Statement	GHS P Statement P264-P270-P301+P310-P321-P405-P501a Wash thoroughly after handling. Do not eat, drink or smoke when using this product. IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Specific treatment (see label). Store locked up. Dispose of contents/container in accordance with local/regional/national/international regulations.
DOTInformation	Transport Hazard Class: 6.1; Packing Group: II; Proper Shipping Name: TOXIC SOLIDS, ORGANIC, N.O.S.
RTECSNumber	UM0738000
TSCA	TSCA