Basic information
- CAS
1887-29-2- Standard SMILES
O=S([O-])(=S)c1ccccc1.[Na+]- InChIKey
BZHOWMPPNDKQSQ-UHFFFAOYSA-M- Molecular formula
- C6H5NaO2S2
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 195.96286568
Overview
RN given refers to Na salt
Names & identifiers
- Preferred name
- Benzenethiosulfonic acid
- IUPAC
- sodium oxido-oxo-phenyl-sulfanylidene-λ6-sulfane
- English name
- Benzenethionosulfonic acid, sodium salt
- Molecular formula
- C6H5NaO2S2
- Molecular weight
- 196.22
Names & synonyms
Benzenethiosulfonic acidRefChem:8872881887-29-2sodium benzenesulfonothioateSodium thiobenzosulfonateBenzenethionosulfonic acid sodium saltBenzenesulfonothioic acid, sodium saltsodium phenylthiosulfonateSodium benzenethiosulfonateSodium benzenethiosulphonateBenzenesulfonothioic acid, sodium salt (1:1)MFCD00145297
Show more names
sodium thiobenxosulfonateSODIUM BENZENE THIOSULFONATEbenzenethiosulfonylacidsodiumBenzenethionosulfonic acid,sodiuMBenzenesulfonothioicacid,sodiumsaltBenzenesulfonicacid,thio-,sodiumsalt
Sodium benzene thiosulphonatesodium;oxido-oxo-phenyl-sulfanylidene-lambda6-sulfaneAKOS006275011AKOS022172390AS-16155C6H5NaO2S2Benzene sulfonic acid, thio-, sodium saltBenzenethionsulfonic acid,sodium
Database identifiers
- CAS
1887-29-2- PubChem CID
- 4192832
- DTXSID
DTXSID2062038- EC Number
- 217-558-8
- Nikkaji
- J440.314B、J62.913H
Properties
Computed structural properties
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 275 °C · 275 °C (dec.)(lit.)
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- Appearance
- White to light yellow Solid
- InChI
- 1S/C6H6O2S2.Na/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);/q;+1/p-1
- InChIKey
- BZHOWMPPNDKQSQ-UHFFFAOYSA-M
- SMILES
- [Na+].[O-]S(=O)(=S)c1ccccc1
- EPA Substance Registry System
- Benzenesulfonothioic acid, sodium salt (1887-29-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 3
- tsca
- TSCA listed
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonothioic acid, sodium salt (1:1): ACTIVE
Applications
UsesBenzenethionosulfonic Acid Sodium Salt is used in many reactions to prepare thiol compounds.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers42 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
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Aladdin Scientific[email protected]
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Related reactions
2 records
Compound notes
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