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| CAS No.: | 868-84-8 |
|---|---|
| Name: | S,S'-Dimethyl dithiocarbonate |
| Molecular Structure: | |
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| Formula: | C3H6OS2 |
| Molecular Weight: | 122.212 |
| Synonyms: | Carbonicacid, dithio-, S,S-dimethyl ester (6CI,7CI,8CI);NSC 227849;S,S-Dimethyldithiocarbonate;S,S'-Dimethyldithiocarbonate; |
| Density: | 1.185 g/cm3 |
| Melting Point: | 133-135 °C |
| Boiling Point: | 154.6 °C at 760 mmHg |
| Flash Point: | 51.4 °C |
| Hazard Symbols: |
|
| Risk Codes: | 22 |
| Safety: | 26-36/37/39 |
| PSA: | 67.67000 |
| LogP: | 1.83240 |
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- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- 19708-81-7
methyl O-methyldithiocarbonate
- 868-84-8
S,S-dimethyl dithiocarbonate
| Conditions | Yield |
|---|---|
| trifluoroacetic acid Ambient temperature; | 99% |
| pyridine N-oxide In neat (no solvent) at 65℃; for 5h; | 96% |
| Aliquat 336 for 1.5h; | 90% |
- 38103-95-6
S-methyl-O-methyl monothiocarbonate
- 75-24-1
trimethylaluminum
- 868-84-8
S,S-dimethyl dithiocarbonate
| Conditions | Yield |
|---|---|
| Stage #1: trimethylaluminum With sulfur In toluene for 2h; Reflux; Stage #2: S-methyl-O-methyl monothiocarbonate In dichloromethane; toluene at 0 - 20℃; for 2h; | 97% |
- 86-56-6
N,N-dimethyl-1-naphthalenamine
- 116538-66-0
tris-methylsulfanyl-methane sulfuric acid monomethyl ester salt
A
- 868-84-8
S,S-dimethyl dithiocarbonate
B
- 6156-25-8
tetrathioorthocarbonic acid tetramethyl ester
C
- 116538-60-4
1-Dimethylamino-4-naphthalene
| Conditions | Yield |
|---|---|
| With pyridine In acetonitrile for 1h; Ambient temperature; | A n/a B 39% C 86% |
- 116538-66-0
tris-methylsulfanyl-methane sulfuric acid monomethyl ester salt
A
- 868-84-8
S,S-dimethyl dithiocarbonate
B
- 6156-25-8
tetrathioorthocarbonic acid tetramethyl ester
C
- 116538-60-4
1-Dimethylamino-4-naphthalene
| Conditions | Yield |
|---|---|
| With pyridine; N,N-dimethyl-1-naphthalenamine In acetonitrile for 1h; Ambient temperature; | A n/a B 39% C 86% |
- 19708-81-7
methyl O-methyldithiocarbonate
- 109-89-7
diethylamine
A
- 868-84-8
S,S-dimethyl dithiocarbonate
B
- 37174-63-3
S-Methyl N,N-diethylthiocarbamate
| Conditions | Yield |
|---|---|
| Stage #1: methyl O-methyldithiocarbonate; diethylamine With triethylamine at 50℃; neat (no solvent); Stage #2: With dimethyl sulfate at 60℃; for 6h; neat (no solvent); | A n/a B 85% |
- 15922-79-9
O-Acetyl N-hydroxy-2-thiopyridone
- 144432-93-9, 144432-97-3
Dithiocarbonic acid O-[1-hexyl-2-(toluene-4-sulfonyl)-nonyl] ester S-methyl ester
A
- 868-84-8
S,S-dimethyl dithiocarbonate
B
- 16416-37-8
(E)-pentadec-7-ene
C
- 127878-51-7
S-(pyridin-2-yl) 4-methylbenzenesulfonothioate
D
- 74392-28-2
(Z)-pentadec-7-ene
| Conditions | Yield |
|---|---|
| In dichloromethane at 40℃; Irradiation; Further byproducts given. Yields of byproduct given; | A 80% B n/a C n/a D n/a |
| In dichloromethane at 40℃; Irradiation; Further byproducts given. Yields of byproduct given; | A n/a B n/a C 75% D n/a |
- 144432-93-9, 144432-97-3
Dithiocarbonic acid O-[1-hexyl-2-(toluene-4-sulfonyl)-nonyl] ester S-methyl ester
A
- 868-84-8
S,S-dimethyl dithiocarbonate
B
- 16416-37-8
(E)-pentadec-7-ene
C
- 127878-51-7
S-(pyridin-2-yl) 4-methylbenzenesulfonothioate
D
- 74392-28-2
(Z)-pentadec-7-ene
| Conditions | Yield |
|---|---|
| With O-Acetyl N-hydroxy-2-thiopyridone In dichloromethane at 40℃; Irradiation; Yield given. Further byproducts given. Title compound not separated from byproducts; | A 80% B n/a C 75% D n/a |
- 62999-70-6
S,S-dimethylthioacetal of diethyl oxomethanephosphonate
- 868-84-8
S,S-dimethyl dithiocarbonate
| Conditions | Yield |
|---|---|
| With n-butyllithium; oxygen In tetrahydrofuran at -78℃; 1) 10 min, 2) 15 min; | 72% |
- 18369-83-0
methyl thiochloroformate
- 868-84-8
S,S-dimethyl dithiocarbonate
| Conditions | Yield |
|---|---|
| With lithium sulfide In tetrahydrofuran for 2h; | 67% |
| Conditions | Yield |
|---|---|
| In diethyl ether at 0 - 25℃; for 1h; | 61% |
- 86-97-55-AMINO-2-NAPHTHOL
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Specification
The S,S'-Dimethyl dithiocarbonate with the cas number 868-84-8 is also called Carbonodithioic acid,S,S-dimethyl ester. The IUPAC name is bis(methylsulfanyl)methanone. Its molecular formula is C3H6OS2. This chemical belongs to the following product categories: (1)Sulfur Compounds (for Synthesis); (2)Synthetic Organic Chemistry.
The properties of the chemical are: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 67.67 Å2; (7)Index of Refraction: 1.532; (8)Molar Refractivity: 31.97 cm3; (9)Molar Volume: 103.1 cm3; (10)Polarizability: 12.67×10-24cm3; (11)Surface Tension: 39.1 dyne/cm; (12)Enthalpy of Vaporization: 39.14 kJ/mol; (13)Vapour Pressure: 3.15 mmHg at 25°C.
Uses: This chemical can react with but-2-enoic acid to product 3-methylsulfanyl-butyric acid. This reaction needs reagent 30% aq. KOH at temperature of 90 ℃. The reaction time is 2.0 hours. The yield is 91%.
While using this chemical, you should be very cautious. This chemical is harmful if swallowed. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(SC)SC
(2)InChI: InChI=1/C3H6OS2/c1-5-3(4)6-2/h1-2H3
(3)InChIKey: IUXMJLLWUTWQFX-UHFFFAOYAA