Basic information
- CAS
19622-08-3- Standard SMILES
CCSC(=O)NCCCN(C)C- InChIKey
YRRBXJLFCBCKNW-UHFFFAOYSA-N- Molecular formula
- C8H18N2OS
- Average molar mass
- 190.31 g/mol
- Monoisotopic mass
- 190.11398438
Overview
Prothiocarb is a monothiocarbamic ester that is ethanethiol in which the hydrogen attached to the sulfur is replaced by a [3-(dimethylamino)propyl]carbamoyl group. Formerly used (generally as the hydrochloride salt) as an agricultural fungicide, it is not approved for use within the European Union. It has a role as an antifungal agrochemical. It is a monothiocarbamic ester and a tertiary amino compound.
Names & identifiers
- Preferred name
- N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester
- IUPAC
- S-ethyl N-[3-(dimethylamino)propyl]carbamothioate
- English name
- Prothiocarb
- Molecular formula
- C8H18N2OS
- Molecular weight
- 190.31
Names & synonyms
PROTHIOCARB19622-08-39FS76HFF04S-ethyl N-[3-(dimethylamino)propyl]carbamothioateS-ethyl (3-dimethylaminopropyl)thiocarbamateDTXSID5058012CHEBI:82084N-(3-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester hydrochlorideS-ETHYL N-(3-(DIMETHYLAMINO)PROPYL)CARBAMOTHIOATERefChem:870034DTXCID8031780N-(gamma-Dimethylaminopropyl)thiocarbamic acid S-ethyl ester
Show more names
Carbamothioic acid, N-[3-(dimethylamino)propyl]-, S-ethyl ester
Prothiocarb [ISO]S-ethyl [3-(dimethylamino)propyl]carbamothioateUNII-9FS76HFF04SN 41 703SCHEMBL21052YRRBXJLFCBCKNW-UHFFFAOYSA-NNS00004817C18943
Database identifiers
- CAS
19622-08-3- PubChem CID
- 29697
- DTXSID
DTXSID5058012- ChEBI
CHEBI:82084- UNII
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 128
Experimental & physicochemical properties
Pesticides
Fungicides
Active substance -> EU Pesticides database: Not approved
Physicochemical properties
- FDA UNII
- 9 FS76HFF04 · 9FS76HFF04
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information2002/2076
Chemistry & industry
Suppliers3 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
Additional notes
DefinitionChEBI: A monothiocarbamic ester that is ethanethiol in which the hydrogen attached to the sulfur is replaced by a [3-(dimethylamino)propyl]carbamoyl group. Formerly used (generally as the hydrochloride salt) as an agricultural fungicide, it is not approved for us within the European Union.
Related reactions
1 records
Compound notes
Loading…