2-Aminoethyl carbamimidothioate dihydrobromide

Basic Information

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CAS Number

56-10-0

Molecular Formula

C3H11Br2N3S

Molecular Weight

281.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Melting Point

190-196 °C

Boiling Point

231.1°C at 760 mmHg

Water Solubility

almost transparency

Flash Point

93.6°C

Solubility

50g/l

SMILES

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C(CSC(=N)N)N.Br.Br

InChI

InChI=1S/C3H9N3S.2BrH/c4-1-2-7-3(5)6;;/h1-2,4H2,(H3,5,6);2*1H

InChIKey

XDVMCVGTDUKDHL-UHFFFAOYSA-N

LogP

0.72757

Topological Polar Surface Area

75.89 Å²

Hydrogen Bond Donor/Acceptor

5 / 3

Complexity

63.2

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Toxicity

LD50 in mice (mg/kg): 100 i.v., 280 s.c., 480 i.p., 1600 orally (Pospisil)

Synonyms & References

English

Ixecur
03K18418PY
EINECS 200-257-0
2-Aminoethylisothiouronium dibromide
2-Aminoethylisothiuronium dihydrobromide
Carbamimidothioic acid, 2-aminoethyl ester, hydrobromide (1:2)
AMINOETHYLISOTHIOUREA DIHYDROBROMIDE
A. E. T
Surrectan
EU-0100078
2-(2-Aminoethyl)isothioureadihydrobromide
UNII-03K18418PY
Isothiuronium bromide, aminoethyl-, hydrobromide
AMBINTER LT03383002
NCGC00093585-02
STR04872
2beta-Aminoethylisothiourea-bromide-hydrogen bromide
CCG-214521
[(2-aminoethyl)sulfanyl]methanimidamide dihydrobromide
beta-Aminoaethyl-isothiuronium dihydrobromid [German]
S-(2-aminoethyl) Isothiourea (dihydrobromide)
S-(2-Aminoethyl)Isothiourea Dihydrobromide
Carbamimidothioic acid, 2-aminoethyl ester, dihydrobromide
.beta.-Aminoethylisothiuronium bromide hydrobromide
2-(2-aminoethyl)isothiourea 2HBr
Q27247570
56-10-0
EN300-6963435
S-(2-Aminoethyl)isothiuronium bromide hydrobromide
aet
S-beta-Aminoethylisothiuronium bromohydrate

MDL Number

MFCD00037011

FAQ

What are the physical and chemical properties of 2-Aminoethyl carbamimidothioate dihydrobromide (CAS: 56-10-0)?

2-Aminoethyl carbamimidothioate dihydrobromide is a crystalline solid with a molecular weight of approximately 248.1 g/mol. It has a low solubility in water and is slightly soluble in organic solvents. This compound exhibits basic reactivity due to the amino group. It is stable under normal conditions but can react with acids to form less stable compounds.

How is 2-Aminoethyl carbamimidothioate dihydrobromide (CAS: 56-10-0) typically synthesized?

2-Aminoethyl carbamimidothioate dihydrobromide is typically synthesized by reacting 2-aminoethyl carbamate with hydrogen bromide gas. The reaction is carried out under anhydrous conditions to avoid side reactions. The process yields a dihydrobromide salt with good selectivity and high yield, around 90%.

What industries use 2-Aminoethyl carbamimidothioate dihydrobromide (CAS: 56-10-0)?

2-Aminoethyl carbamimidothioate dihydrobromide is used in the pharmaceutical industry for the production of certain drug intermediates. It is also utilized in the polymer industry for the modification of polymers, and in the field of sensors for its reactivity and sensitivity to various analytes. Its applications in semiconductors are less common but are explored for specialized uses.

What precautions should be taken when handling 2-Aminoethyl carbamimidothioate dihydrobromide (CAS: 56-10-0)?

Proper laboratory safety protocols should be followed when handling 2-Aminoethyl carbamimidothioate dihydrobromide. Use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to minimize inhalation risk. Store the compound away from acids and ensure good ventilation during storage and use. Refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.