Methyl (methylsulfinyl)methyl sulfide
Basic information
- CAS
33577-16-1- Standard SMILES
CSCS(C)=O- InChIKey
OTKFCIVOVKCFHR-UHFFFAOYSA-N- Molecular formula
- C3H8OS2
- Average molar mass
- 124.23 g/mol
- Monoisotopic mass
- 124.00165722
Overview
(Methylsulfinyl)(methylthio)methane is a sulfoxide.
Names & identifiers
- Preferred name
- Methyl (methylsulfinyl)methyl sulfide
- IUPAC
- methylsulfanyl(methylsulfinyl)methane
- English name
- MMTS
- Molecular formula
- C3H8OS2
- Molecular weight
- 124.22
Names & synonyms
33577-16-1Methyl (methylsulfinyl)methyl sulfideMethyl((methylsulfinyl)methyl)sulfaneMethanesulfinyl-methylsulfanyl-methaneMethane, (methylsulfinyl)(methylthio)-(Methylsulfinyl)(methylthio)methaneFAMSOmethylsulfanyl(methylsulfinyl)methaneFormaldehyde dimethyl mercaptal S-oxide(Methylthio)dimethyl sulfoxideMethyl (methylthio)methyl sulfoxideMethyl methylthiomethyl sulfoxide
Show more names
formaldehyde dimethyl thioacetal monoxideMMTS(Methylsulfinyl(methylsulfinyl)(methylthio)-methanmethyl(methylsulfinylmethyl)sulfaneMethylsulfinylmethylsulfanylmethane
Methyl methylthiomethyl sulphoxideFormaldehyde methyl mercaptal S-oxideSulfide, methyl (methylsulfinyl)methylMethylsulfinyl(methylthio)methaneMFCD00002091NSC 181492Z1255438413EINECS 251-577-2
Database identifiers
- CAS
33577-16-1- PubChem CID
- 99129
- DTXSID
DTXSID00865676- ChEBI
CHEBI:167080- EC Number
- 251-577-2
- Nikkaji
- J236.022E、J57.757J
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 52.8
Physicochemical properties
- Melting point
- 222 · 222-226°C
- Boiling point
- 92 °C · 92 °C (2 mmHg)
- Density
- 1.22 · 1.22
- refractive index
- 1.548 · 1.548-1.558
- Flash point
- 110 °C · >110°C
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- solubility
- 2 · Soluble in acetic acid, alcohol, THF, CS2, CCl4, CHCl3, acetone, benzene, and DMSO; slightly soluble in cyclohexane and hexane.
- pka
- 29 · (DMSO) 29.0.
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Specific Gravity
- 1.22 · 1.22
- Sensitive
- Hygroscopic
- BRN
- 906789 · 906789
- InChIKey
- OTKFCIVOVKCFHR-UHFFFAOYSA-N
- LogP
- -0.479 · -0.479 (est)
- CAS DataBase Reference
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
Regulatory InformationMethane, (methylsulfinyl)(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3334
- hs_code
- 29309070
- risk_code
- 36/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-24/25-23
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethane, (methylsulfinyl)(methylthio)-: ACTIVE
Applications
Uses(Methylthio)dimethyl sulfoxide is a essential oil from fruit of Gallesia integrifolia exhibit antifungal activity against Aspergillus fumigatus, Aspergillus niger and Aspergillus ochraceus.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: (Methylsulfinyl)(methylthio)methane is a sulfoxide.
Related reactions
125 records
Compound notes
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