Basic information
- CAS
13882-12-7- Standard SMILES
CSS(C)=O- InChIKey
RRGUMJYEQDVBFP-UHFFFAOYSA-N- Molecular formula
- C2H6OS2
- Average molar mass
- 110.2 g/mol
- Monoisotopic mass
- 109.98600716
Overview
(Methanesulfinylsulfanyl)methane is a sulfur oxoacid derivative.
Names & identifiers
- Preferred name
- Methyl methanethiosulfinate
- IUPAC
- methylsulfinylsulfanylmethane
- English name
- methyl methanethiosulfinate
- Molecular formula
- C2H6OS2
- Molecular weight
- 110.2
Names & synonyms
13882-12-7Methyl methanethiosulfinateDTXSID601310808RefChem:817857methyl methane thiosulfinateDTXCID301740646(methanesulfinylsulfanyl)methaneS-Methyl methanesulfinothioateDimethyl thiosulfinateS-Methyl methanethiosulfinatemethylsulfinylsulfanylmethaneMethyl methane thiosulphinate
Show more names
DIMETHYLTHIOSULPHINATENeticonazole Impurity 18METHYLMETHANETHIOSULPHINATEMethane methyl thiosulphinateMethyl(methylsulfinyl) sulfideMethanethiosulfinic acid S-methyl ester
S-Methyl thiomethanesulfinateDimethyldisulfide, S-oxideMethanesulfinothioic acid, S-methyl esterNeticonazole Impurity 7CHEMBL403038BRN 1738960C2H6OS2Me-SS(O)-Me
Database identifiers
- CAS
13882-12-7- PubChem CID
- 95200
- DTXSID
DTXSID601310808
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 42.9
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 121.2 °C · 121.2°C
- Density
- 1.16 · 1.160 (estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- LogP
- -0.3 · -0.300 (est)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H331-H311
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+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 CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H331-H311
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Suppliers8 total
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
Additional notes
DefinitionChEBI: (Methanesulfinylsulfanyl)methane is a sulfur oxoacid derivative.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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