Basic information
- Standard SMILES
CSC(=O)SC- InChIKey
IUXMJLLWUTWQFX-UHFFFAOYSA-N- Molecular formula
- C3H6OS2
- Average molar mass
- 122.21 g/mol
- Monoisotopic mass
- 121.98600681
Names & identifiers
- Preferred name
- S,S-dimethyl carbonodithioate
- IUPAC
- bis(methylsulfanyl)methanone
- English name
- S,S'-Dimethyl dithiocarbonate
- Molecular formula
- C3H6OS2
- Molecular weight
- 122.21
Names & synonyms
S,S-Dimethyl dithiocarbonateS,S-dimethyl carbonodithioateRefChem:884082617-931-9868-84-8S,S'-Dimethyl dithiocarbonatebis(methylsulfanyl)methanones,s-dimethyldithiocarbonateCarbonodithioic acid, S,S-dimethyl esterMFCD00144163Dithiocarbonic Acid S,S'-Dimethyl EsterCHEMBL4796378
Show more names
Bis(methylthio) ketoneDIMETHYLDITHIO CARBONATEbis(methylthio)methanoneDimethyl dithiocarboxylateS,S'-Dimethyl dithiocarboteS S-DIMETHYL DITHIOCARBONATEDimethyldithiocarboxylicacid
NSC-227849Dithiocarbonicaciddiethylestermethylthio ketoneCarbonodithioic Acid S,S-Dimethyl Ester; Dithiocarbonic Acid S,S-Dimethyl Ester; Dithiocarbonic Acid S,S'-Dimethyl Ester; NSC 227849starbld0016678Carbonic acid, dithio-, S,S-dimethyl esterEC 617-931-93VA2L63KTH
Database identifiers
- CAS
868-84-8- PubChem CID
- 313474
- DTXSID
DTXSID20310491- ChEMBL
CHEMBL4796378- UNII
- 3VA2L63KTH
- EC Number
- 617-931-9
- Nikkaji
- J141.801G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 67.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 46.8
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Physicochemical properties
- Melting point
- 133 · 133-135 °C
- Boiling point
- 169 °C · 169°C
- Density
- 1.1705 g/mL · 1.1705 g/mL at 25 °C
- refractive index
- 20 · n20/D 1.5485
- Flash point
- 144 °F · 144 °F
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- clear liquid
- color
- Colorless to Almost colorless
- InChI
- 1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3
- InChIKey
- IUXMJLLWUTWQFX-UHFFFAOYSA-N
- SMILES
- CSC(=O)SC
- CAS DataBase Reference
- 868 · 868-84-8(CAS DataBase Reference)
- FDA UNII
- 3 VA2L63KTH · 3VA2L63KTH
- NIST Chemistry Reference
- Carbonodithioic acid, s,s-dimethyl ester(868-84-8)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H302
- Precautionary statements
- 210 · P210-P264-P270-P280-P301+P312+P330-P403+P235-P501
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 3334 · UN 3334
- WGK Germany
- 1 · 1
- HS Code
- 2930.9 · 2930.90.9250
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 10-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33713
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- ridadr
- UN 3334
- hs_code
- 2930.90.9250
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H227-H302
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P210-P264-P270-P280-P301+P312+P330-P403+P235-P501
Chemistry & industry
Applications
UsesS,S'-Dimethyl dithiocarbonate is a phosgene derivative and is used in chemistry as a dehydrating agent. S,S'-Dimethyl dithiocarbonate is also used as a carbonylating agent.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
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北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
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Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
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河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海亿化化工有限公司021-58771921 13818686088 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
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ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
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Related reactions
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