Ethyl carbamimidothioate;hydron;bromide
Basic information
- CAS
1071-37-0- Standard SMILES
CCSC(=N)N.[Br-].[H+]- InChIKey
SWXXKWPYNMZFTE-UHFFFAOYSA-N- Molecular formula
- C3H9BrN2S
- Average molar mass
- 185.09 g/mol
- Monoisotopic mass
- 183.96698
Overview
See also: S-Ethylisothiuronium bromide (preferred).
Names & identifiers
- Preferred name
- Ethyl carbamimidothioate;hydron;bromide
- IUPAC
- ethyl carbamimidothioate;hydron;bromide
- English name
- S-Ethylisothiourea hydrobromide
- Molecular formula
- C3H9BrN2S
- Molecular weight
- 185.09
Names & synonyms
SCHEMBL7418298ethylisothioureahydrobromide2-ETHYL-2-THIOPSEUDOUREA, HBR2-ETHYL-2-THIOPSEUDOUREA HYDROBROMIDEWR 539SEIT HBRETHIRON BROMIDES-ETHYL-ITU, HBREIT HYDROBROMIDES-EIT (hydrobromide)S-ETHYLISOTHIOUREA HBR
Database identifiers
- CAS
1071-37-0- PubChem CID
- 92003186
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 52.8
Physicochemical properties
- Melting point
- 79 · 79-81°C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Crystalline Powder
- color
- White
- InChI
- InChI=1S/C3H8N2S.BrH/c1-2-6-3(4)5;/h2H2,1H3,(H3,4,5);1H
- InChIKey
- SWXXKWPYNMZFTE-UHFFFAOYSA-N
- SMILES
- S(CC)C(=N)N.Br
- CAS DataBase Reference
- 1071 · 1071-37-0(CAS DataBase Reference)
- FDA UNII
- 9389 OA11M · T9389OA11M
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501
- Risk Statements
- 22 · 22
- Safety Statements
- 22 · 22-36/37
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- UM6825000
- hs_code
- 2930.90.9250
- Toxicity
- mouse,LD50,intraperitoneal,185mg/kg (185mg/kg),Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 1419, 1974.
- risk_code
- 22
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- safety_code
- 22-36/37
- Hazard statements
- H301
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
UsesS-Ethylisothio Urea, Hydrobromide (cas# 1071-37-0) is a compound useful in organic synthesis. Dyes and metabolites.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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