Basic information
- CAS
7314-30-9- Standard SMILES
C[S+](C)CCC(=O)[O-]- InChIKey
DFPOZTRSOAQFIK-UHFFFAOYSA-N- Molecular formula
- C5H10O2S
- Average molar mass
- 134.2 g/mol
- Monoisotopic mass
- 134.04015073
Overview
S,S-dimethyl-beta-propiothetin is a sulfonium betaine obtained by deprotonation of the carboxy group of 3-dimethylsulfoniopropionic acid. It has a role as an osmolyte and a marine metabolite.
Names & identifiers
- Preferred name
- Dimethylsulfoniopropionate
- IUPAC
- 3-dimethylsulfoniopropanoate
- English name
- dimethylpropiothetin
- Molecular formula
- C5H10O2S
- Molecular weight
- 134.19
Names & synonyms
Dimethylpropiothetin7314-30-9dimethylsulfoniopropionate3-dimethylsulfoniopropanoateDimethyl-beta-propiothetinbeta-Dmsp3-DIMETHYLSULFONIOPROPIONATES,S-Dimethyl-beta-propiothetinDMSPbeta-Dimethylsulfoniopropionatedimethyl-propiothetinC884XA7QGG
Show more names
C04022Dimethyl-3-propiothetinS,S-dimethyl-β-propiothetinDiMethylsulfonioproprionateDimethylpropiothetin USP/EP/BPDiMethylsulfonioproprionate (Also See C178060)Dimethylsulfonioproprionate (contains ~20% water)
Dimethylpropiothetin chlorideCHEBI:16457Sulfonium, (2-carboxyethyl)dimethyl-, hydroxide, inner saltRefChem:588598DMPT3-(dimethylsulfonio)propanoateS-Dimethylsulfonium propionic acid3-(dimethylsulfaniumyl)propanoate
Database identifiers
- CAS
7314-30-9- PubChem CID
- 23736
- DTXSID
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 75
Physicochemical properties
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- Methanol, Water
- form
- Oil
- color
- Clear Colourless
- Stability
- Very Hygroscopic, Unstable at room temperature
- FDA UNII
- 884 XA7QGG · C884XA7QGG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Applications
UsesDimethylsulfonioproprionate is a metabolite produced primarily by marine phytoplankton and is the main precursor to the climatically important gas dimethylsulfide (DMS). Dimethylsulfonioproprionate along with DMS is a primary source of sulfur aerosol in the earth’s atmosphere and may have an influence on global temperature.
Suppliers53 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
武汉吉业升化工有限公司027-83360216 18040558719 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉吉业升化工有限公司15387013945 · [email protected]
武汉吉业升化工有限公司13545274181 15307147230 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
武汉吉业升化工有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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