2-(Carbamimidoylsulfanyl)ethanesulfonic acid

Basic Information

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CAS Number

25985-57-3

Molecular Formula

C3H8N2O3S2

Molecular Weight

184.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

°Cat760mmHg

Density

1.73

SMILES

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C(CS(=O)(=O)O)SC(=N)N

InChI

InChI=1S/C3H8N2O3S2/c4-3(5)9-1-2-10(6,7)8/h1-2H2,(H3,4,5)(H,6,7,8)

InChIKey

LTHWZZOUNJCHES-UHFFFAOYSA-N

LogP

-0.4991299999999998

Topological Polar Surface Area

104.24 Å²

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

204

Synonyms & References

English

Q288RVR1N9
FT-0638563
2-[(Aminoiminomethyl)thio]ethanesulfonic acid
MESNA IMPURITY A [EP IMPURITY]
LTHWZZOUNJCHES-UHFFFAOYSA-N
BCP10452
25985-57-3
PSEUDOUREA, 2-(2-SULFOETHYL)-
2-([Amino(imino)methyl]sulfanyl)ethanesulfonic acid #
2-(CARBAMIMIDOYLSULFANYL)ETHANESULFONIC ACID
2-Sulfoethyl carbamimidothioate
Carbamimidothioic acid, 2-sulfoethyl ester
A818134
AC-24173
2-(carbamimidoylthio)ethanesulfonicacid
THIOURONIUM ETHANESULFONIC ACID [USP IMPURITY]
3-(2-Chlorophenyl)-1-hydroxy-1-(3-(trifluoromethyl)phenyl)urea
2-(Amidinothio)ethanesulfonic acid
SCHEMBL5070049
2-{[amino(imino)methyl]sulfanyl}ethanesulfonic acid
2-[amino(azaniumylidene)methyl]sulfanylethanesulfonate
2-(2-Sulphonatoethyl)isothiouronium
2-(2-Sulfoethyl)pseudourea
MFCD00191300
DTXSID90885323
EINECS 247-391-6
2-carbamimidoylsulfanylethanesulfonic acid
2-(carbamimidoylthio)ethanesulfonic acid
AKOS015893993
Ethanesulfonic acid, 2-[(aminoiminomethyl)thio]-
2-(Carbaminidoylsulfanyl)ethanesulfonic Acid

MDL Number

MFCD00191300

FAQ

What are the physical and chemical properties of 2-(Carbamimidoylsulfanyl)ethanesulfonic acid (CAS: 25985-57-3)?

2-(Carbamimidoylsulfanyl)ethanesulfonic acid is a white crystalline solid with a molecular weight of approximately 215.27 g/mol. It is slightly soluble in water and has a pKa of about 4.3. The compound is reactive towards bases and can undergo hydrolysis under basic conditions.

How is 2-(Carbamimidoylsulfanyl)ethanesulfonic acid (CAS: 25985-57-3) typically synthesized?

2-(Carbamimidoylsulfanyl)ethanesulfonic acid is typically synthesized by reacting ethanesulfonic acid with carbamimidoyl chloride. The reaction is carried out in the presence of a base such as triethylamine to promote nucleophilic substitution. The yield of the product is around 75%, and the reaction is highly selective.

What industries use 2-(Carbamimidoylsulfanyl)ethanesulfonic acid (CAS: 25985-57-3)?

2-(Carbamimidoylsulfanyl)ethanesulfonic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the production of sensors and as a reagent in chemical research. Its applications in polymers and semiconductors are limited but ongoing research is exploring its potential in these areas.

What precautions should be taken when handling 2-(Carbamimidoylsulfanyl)ethanesulfonic acid (CAS: 25985-57-3)?

When handling 2-(Carbamimidoylsulfanyl)ethanesulfonic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Store the compound in a fume hood to minimize exposure to air. In case of a spill, neutralize the acid with a base and clean up the area following standard laboratory procedures. Always refer to the Safety Data Sheet (SDS) for detailed safety information.