Methiobencarb
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Basic information
- CAS
18357-78-3- Standard SMILES
CCN(CC)C(=O)SCc1ccc(OC)cc1- InChIKey
BUHNESFUCHPWED-UHFFFAOYSA-N- Molecular formula
- C13H19NO2S
- Average molar mass
- 253.36 g/mol
- Monoisotopic mass
- 253.11365002
Names & identifiers
- Preferred name
- Methiobencarb
- IUPAC
- S-[(4-methoxyphenyl)methyl] N,N-diethylcarbamothioate
- English name
- S-(4-methoxybenzyl) diethylthiocarbamate
- Molecular formula
- C13H19NO2S
- Molecular weight
- 253.36
Names & synonyms
Methiobencarb18357-78-3Methiobencarb [ISO]NZG49DEB8PS-[(4-methoxyphenyl)methyl] N,N-diethylcarbamothioateEINECS 242-226-4UNII-NZG49DEB8PDTXSID1058004S-4-METHOXYBENZYL DIETHYL(THIOCARBAMATE)S-((4-METHOXYPHENYL)METHYL) N,N-DIETHYLCARBAMOTHIOATERefChem:156989DTXCID4031772
Show more names
BenzcarbothiolS-(4-methoxybenzyl) N,N-diethylthiocarbamateDiethylthiocarbamic acid S-(4-methoxybenzyl) esterDiethylthiocarbamic acid S-[(4-methoxyphenyl)methyl] esterCarbamothioic acid, N,N-diethyl-, S-[(4-methoxyphenyl)methyl] ester
242-226-4S-(4-Methoxybenzyl) diethylthiocarbamateSCHEMBL131962BUHNESFUCHPWED-UHFFFAOYSA-NNS00026036S-[(4-Methoxyphenyl)methyl] diethylcarbamothioateQ27285124
Database identifiers
- CAS
18357-78-3- PubChem CID
- 87594
- DTXSID
DTXSID1058004- UNII
- NZG49DEB8P
- EC Number
- 242-226-4
- Nikkaji
- J11.022A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- FDA UNII
- 49 DEB8P · NZG49DEB8P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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