Basic information
- CAS
22551-26-4- Standard SMILES
CSCC(O)CO- InChIKey
FXIHXPKPLPKPJH-UHFFFAOYSA-N- Molecular formula
- C4H10O2S
- Average molar mass
- 122.19 g/mol
- Monoisotopic mass
- 122.04015073
Names & identifiers
- Preferred name
- 3-(Methylthio)-1,2-propanediol
- IUPAC
- 3-methylsulfanylpropane-1,2-diol
- English name
- 3-METHYLTHIO-1,2-PROPANEDIOL
- Molecular formula
- C4H10O2S
- Molecular weight
- 122.19
Names & synonyms
22551-26-43-METHYLTHIO-1,2-PROPANEDIOL3-(Methylthio)-1,2-propanediol3-methylsulfanylpropane-1,2-diol3-(methylsulfanyl)propane-1,2-diol3-(methylthio)propane-1,2-diolNifuratel Impurity 263-Methylthiopropane-1,2-diolEINECS 245-073-1S-methyl-thioglycerolSCHEMBL1049326SCHEMBL1049328
Show more names
Nifuratel impurities83-Methionyl-1,2-propanediol3-Methylthio-1,2-propanediol,99%3-methylmercaptan, 1, 2-diol propane
SCHEMBL6703880FXIHXPKPLPKPJH-UHFFFAOYSA-DTXSID009452051,2-Propanediol, 3-(methylthio)-MFCD00004724AKOS0062292733-(Methylsulfanyl)-1,2-propanediol #DA-07931
Database identifiers
- CAS
22551-26-4- PubChem CID
- 90802
- DTXSID
DTXSID00945205- EC Number
- 245-073-1
- Nikkaji
- J236.408E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 40.7
Physicochemical properties
- Boiling point
- 197.63 °C · 197.63°C (rough estimate)
- Density
- 1.164 g/mL · 1.164 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.516(lit.)
- Flash point
- 113 °C · 113 °C
- CAS DataBase Reference
- 22551 · 22551-26-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers18 total
怀化元研达生物技术有限责任公司18711085600 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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