Basic information
- CAS
1016740-19-4- Standard SMILES
COCCC(N)=S- InChIKey
AYGNZQROJVNACM-UHFFFAOYSA-N- Molecular formula
- C4H9NOS
- Average molar mass
- 119.19 g/mol
- Monoisotopic mass
- 119.04048508
Names & identifiers
- Preferred name
- 3-Methoxypropanethioamide
- IUPAC
- 3-methoxypropanethioamide
- English name
- 3-methoxypropanethioamide
- Molecular formula
- C4H9NOS
- Molecular weight
- 119.19
Names & synonyms
3-methoxypropanethioamide1016740-19-4RefChem:503288886-235-7AKOS000163542CS-0355835EN300-42680G24324Propanethioamide, 3-methoxy-
Database identifiers
- CAS
1016740-19-4- PubChem CID
- 20121366
- EC Number
- 886-235-7
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 64.7
Physicochemical properties
- Boiling point
- 195 · 195.0±42.0 °C(Predicted)
- Density
- 1.087 · 1.087±0.06 g/cm3(Predicted)
- pka
- 13.03 · 13.03±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H302-H332-H227-H312-H315
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P
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
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H302-H332-H227-H312-H315
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P210-P280-P370+P378-P403+P235-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
常州合晶化工有限公司85528066 13775048983 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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