CAS 1758-73-2|carbamimidoylsulfinic acid|Formamidinesulphinic acid|Thiourea dioxide|formamidine sulfinic acid|甲脒亚磺酸|氨基亚氨基甲亚磺酸|thiourea dioxide|二氧化硫脲|Formamidinesulfinic acid|Amino...

Molecular Formula

CH₄N₂O₂S

Molecular Mass

108.11966

Exact Mass

107.99934838

InChI

InChI=1S/CH4N2O2S/c2-1(3)6(4)5/h(H3,2,3)(H,4,5)

InChIKey

FYOWZTWVYZOZSI-UHFFFAOYSA-N

Canonic Smiles

NC(=N)S(=O)O

Isomeric Smiles

NC(=N)S(=O)O

JChem

Acid pKa

-2.3398976

H Acceptors

H Donor

LogD (pH = 5.5)

-0.965675

LogD (pH = 7.4)

-0.9657384

Log P

-0.9656744

Molar Refractivity

31.4

Polarizability

8.693216

Polar Surface Area

87.17

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

61274

IUPAC name

carbamimidoylsulfinic acid

Synonyms

Formamidinesulphinic acidThiourea dioxide甲脒亚磺酸氨基亚氨基甲亚磺酸二氧化硫脲Formamidinesulfinic acidAminoiminomethanesulfinic acidamino(imino)methanesulfinic acidcarbamimidoylsulfinic acid

IUPAC Traditional name

formamidine sulfinic acid thiourea dioxide

MDL Number

Beilstein Number

CAS Number

PubChem SID

Physical Property

Product Information

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Flammable gases, category 1

Flammable aerosols, categories 1,2

Flammable liquids, categories 1,2,3

Self-reactive substances and mixtures, Types B,C,D,E,F

Pyrophoric liquids, category 1

Pyrophoric solids, category 1

Self-heating substances and mixtures

Substances and mixtures, which in contact with water, emit flammable gases, categories 1,2,3

Organic peroxides, Types B,C,D,E,F

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

5-22-36/37/38

3341

UN3341

dust mask type N95 (US), Eyeshields, Gloves

26-36/37

H251-H302-H315-H319-H335

H301-H315-H319-H335-H252

P235+P410-P261-P305+P351+P338

P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

UN 3341 4.2/PG 2

Moisture Sensitive

No Data Available

Click here to submit data

No Data Available

Click here to submit data

Sigma Aldrich

F16001

Application
Convenient reagent for the reduction of ketones to secondary alcohols.
Packaging
100 g in poly bottle
5 g in glass bottle

From Data Sources

• For use in the reductive cyclization of nitro ketones to pyrroles, see 2-Benzylidenecyclohexanone, L13434 and 3-Penten-2-one, L13031.

• Disulfides and N-tosylsulfimines are reduced, under phase-transfer conditions, to thiols and sulfides respectively: Synthesis, 529 (1975). In the presence of iodine as a catalyst, sulfoxides are reduced to sulfides in high yield: Synthesis, 542 (1978).

• Has been used to reduce ketones to secondary alcohols: Tetrahedron Lett., 343 (1972), and aldehydes to primary alcohols: J. Chin. Chem. Soc., 21, 235 (1973).

Academic Data

PubChem

61274

IUPAC name

carbamimidoylsulfinic acid

Synonyms

IUPAC Traditional name

formamidine sulfinic acid thiourea dioxide

MDL Number

Beilstein Number

CAS Number

PubChem SID

F16001

Application
Convenient reagent for the reduction of ketones to secondary alcohols.
Packaging
100 g in poly bottle
5 g in glass bottle

From Data Sources

• For use in the reductive cyclization of nitro ketones to pyrroles, see 2-Benzylidenecyclohexanone, L13434 and 3-Penten-2-one, L13031.

• Has been used to reduce ketones to secondary alcohols: Tetrahedron Lett., 343 (1972), and aldehydes to primary alcohols: J. Chin. Chem. Soc., 21, 235 (1973).

Physical Property

Product Information

Safety Information

Molecule

ID:89368