Dimethyldithiocarbamic Acid Allyl Ester
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Basic information
- CAS
20821-66-3- Standard SMILES
C=CCSC(=S)N(C)C- InChIKey
ZFMLVJCASVPGIT-UHFFFAOYSA-N- Molecular formula
- C6H11NS2
- Average molar mass
- 161.3 g/mol
- Monoisotopic mass
- 161.0332917
Names & identifiers
- Preferred name
- Dimethyldithiocarbamic Acid Allyl Ester
- IUPAC
- prop-2-enyl N,N-dimethylcarbamodithioate
- English name
- DIMETHYLDITHIOCARBAMIC ACID ALLYL ESTER
- Molecular formula
- C6H11NS2
- Molecular weight
- 161.29
Names & synonyms
Dimethyldithiocarbamic Acid Allyl EsterRefChem:588546678-105-120821-66-3Allyl dimethyldithiocarbamateAllyl dimethylcarbamodithioateprop-2-enyl N,N-dimethylcarbamodithioateMFCD00059057Carbamodithioic acid, N,N-dimethyl-, 2-propen-1-yl esterN,N-DIMETHYL(PROP-2-EN-1-YLSULFANYL)CARBOTHIOAMIDES-Allyl-N,N-dimethyldithiocarbamateNSC86020
Show more names
NCIOpen2_001141SCHEMBL11039518ZFMLVJCASVPGIT-UHFFFAOYSA-Allyl N,N-dimethyldithiocarbamateDTXSID90292836allyl N,N-dimethylcarbamodithioateZFMLVJCASVPGIT-UHFFFAOYSA-NNSC-86020
Database identifiers
- CAS
20821-66-3- PubChem CID
- 257640
- DTXSID
DTXSID90292836- EC Number
- 678-105-1
- Nikkaji
- J208.446E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Boiling point
- 108 °C · 108 °C / 5mmHg
- Density
- 1.11 · 1.11
- refractive index
- 1.602 · 1.6020-1.6060
- form
- clear liquid
- pka
- 0.9 · 0.90±0.50(Predicted)
- color
- Light orange to Yellow to Green
- CAS DataBase Reference
- 20821 · 20821-66-3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H315-H319
- Precautionary statements
- 210 · P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
- HS Code
- 2930909899 · 2930909899
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227-H315-H319
- Precautionary statements
- P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P403+P235-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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