Basic information
- CAS
631-67-4- Standard SMILES
CC(=S)N(C)C- InChIKey
LKNQXZAHNDFIQY-UHFFFAOYSA-N- Molecular formula
- C4H9NS
- Average molar mass
- 103.19 g/mol
- Monoisotopic mass
- 103.04557046
Names & identifiers
- Preferred name
- Ethanethioamide, N,N-dimethyl-
- IUPAC
- N,N-dimethylethanethioamide
- English name
- N,N-Dimethylthioacetamide
- Molecular formula
- C4H9NS
- Molecular weight
- 103.19
Names & synonyms
N,N-DimethylthioacetamideN,N-DimethylethanethioamideEthanethioamide, N,N-dimethyl-BRN 1737685DTXSID60608924-04-00-00182 (Beilstein Handbook Reference)RefChem:138184DTXCID4043646676-821-9InChI=1/C4H9NS/c1-4(6)5(2)3/h1-3HLKNQXZAHNDFIQY-UHFFFAOYSA-N631-67-4
Show more names
TIMTEC-BB SBB007924n,n-dimethylthio-acetamidn,n-dimethyl-ethanethioamid1-(Dimethylamino)-1-ethanethione
DimethylthioacetamideACETAMIDE, N,N-DIMETHYLTHIO-DimethylthioacetamidMFCD00022178Dimethylthioacetamid [German]N,N-Dimethylethanethioamide #SCHEMBL434705SCHEMBL434706
Database identifiers
- CAS
631-67-4- PubChem CID
- 12434
- DTXSID
DTXSID6060892- EC Number
- 676-821-9
- Nikkaji
- J134.574E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 58.6
Physicochemical properties
- Melting point
- 71 · 71-73°C
- Boiling point
- 125 · 125-127°C 22mm
- Density
- 0.966 · 0.966
- refractive index
- 1.5 · 1.5000 (estimate)
- Flash point
- 125 · 125-127°C/22mm
- form
- solid
- pka
- 1.74 · 1.74±0.50(Predicted)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- Ethanethioamide, N,N-dimethyl- (631-67-4)
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-36
- TSCA
- TSCA listed
- HS Code
- 29309090 · 29309090
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
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (16.7%)
Safety data
- tsca
- TSCA listed
- hs_code
- 29309090
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanethioamide, N,N-dimethyl-: INACTIVE
Applications
UsesN,N-Dimethylthioacetamide is used as pharmaceutical intermediates.
Suppliers29 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
北京福源坊科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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