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Basic information
- CAS
538-28-3- Standard SMILES
Cl.N=C(N)SCc1ccccc1- InChIKey
WJAASTDRAAMYNK-UHFFFAOYSA-N- Molecular formula
- C8H10N2S.ClH
- Average molar mass
- 202.71 g/mol
Names & identifiers
- Preferred name
- S-Benzylthiuronium chloride
- IUPAC
- benzyl carbamimidothioate;hydrochloride
Names & synonyms
538-28-3S-Benzylthiuronium chlorideBenzylisothiuronium chlorideBenzylisothiouronium chlorideBenzylthiuronium chlorideBenzylisothiourea hydrochlorideS-Benzylthiopseudourea hydrochlorideS-Benzylthiouronium chlorideS-Benzylthioformamidine hydrochloride2-Benzylisothiouronium chlorideUSAF EK-2124Carbamimidothioic acid, phenylmethyl ester, monohydrochloride
Show more names
Isothiouronium chloride, benzyl-Benzyl thiopseudourea hydrochlorideS-benzylthiourea hydrochlorideTL 944A-287X 182EINECS 208-688-6Pseudourea, 2-benzyl-2-thio-, hydrochloride
Database identifiers
- CAS
538-28-3- PubChem CID
- 10852
- ChEMBL
CHEMBL1224309- UNII
- QJ9N8049ND
- EC Number
- 208-688-6
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Thiourea Compounds
Physical DescriptionSolid; [Merck Index] White hygroscopic crystals; [Alfa Aesar MSDS]
Safety & regulation
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Carbamimidothioic acid, phenylmethyl ester, monohydrochloride
2-Benzylisothiouronium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryAn irritant; Highly toxic by ingestion; [Alfa Aesar MSDS] See Thiourea.
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Chemistry & industry
Uses & manufacturing
UsesUsed as a reagent for cobalt and nickel and for the separation of carboxylic, sulfinic, and sulfonic acids; [Merck Index]
General Manufacturing InformationCarbamimidothioic acid, phenylmethyl ester, hydrochloride (1:1): ACTIVE
Related reactions
4 records
Compound notes
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