Basic information
- Standard SMILES
Br.CCSC(=N)N- InChIKey
SWXXKWPYNMZFTE-UHFFFAOYSA-N- Molecular formula
- C3H9BrN2S
- Average molar mass
- 185.09 g/mol
Names & identifiers
- Preferred name
- S-Ethylisothiuronium bromide
- IUPAC
- ethyl carbamimidothioate;hydrobromide
Names & synonyms
S-Ethylisothiourea hydrobromide2-Ethyl-2-thiopseudourea hydrobromideEthironEthiron bromideS-Ethylisothiouronium hydrobromideS-Ethylthiuronium bromideIsothuron hydrobromideS-Ethylisothiuronium bromide(ethylsulfanyl)methanimidamide hydrobromideWR 539Bromide S-ethylisothiuroniumIsothurone hydrobromide
Show more names
USAF EL-182-Ethylisothiourea hydrobomideCarbamimidothioic acid, ethyl ester, monohydrobromideT9389OA11MNSC 27208Pseudourea, 2-ethyl-2-thio-, monohydrobromideNSC-27208WR-539
Database identifiers
- CAS
1071-37-0- PubChem CID
- 200213
- ChEMBL
CHEMBL1255945- UNII
- T9389OA11M
- EC Number
- 689-042-4
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 52.8
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Related reactions
13 records
Linked notes
Loading…