Molinate

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Systematic / IUPAC Name: S-Ethyl 1-azepanecarbothioate

ID: Reference2390

Other Names: Ordram;
S-Ethyl azepane-1-carbothioate;
Jalan;
Higalnate;
Molmate ; more

Formula: C9H17NOS

Class: Pesticides/Herbicides Industrial Chemicals

Spectral Data

Molinate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 354
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 3/6/2015 3:00:15 PM
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Identificators

InChI InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
InChI Key DEDOPGXGGQYYMW-UHFFFAOYSA-N
Canonical SMILES CCSC(=O)N1CCCCCC1
CAS 2212671
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Other Names Ordram;
S-Ethyl azepane-1-carbothioate;
Jalan;
Higalnate;
Molmate;
Sakkimol;
Hydram;
Felan;
Yalan;
Yulan;
1H-Azepine-1-carbothioic acid, hexahydro-, S-ethyl ester;
Malerbane giavoni L;
S-Ethyl-N-hexamethylenethiocarbamate;
S-Ethyl perhydroazepin-1-carbothioate;
Ethyl 1-hexamethyleneiminecarbothiolate;
S-Ethyl N,N-hexamethylenethiocarbamate;
S-Ethyl hexahydroazepine-1-carbothioate;
S-Ethyl 1-hexamethyleneiminothiocarbamate;
S-Ethyl perhydroazepine-1-thiocarboxylate;
S-Ethyl hexahydro-1H-azepine-1-carbothioate;
S-Aethyl-N-hexahydro-1H-azepinthiolcarbamat;
Molinate;1H-azepine-1 carbothioic acid hexahydro-S-ethyl ester

In Other Databases

Wikipedia Molinat (DE)
PubChem 16653
ChEMBL CHEMBL1865916
ChemSpider 15790
KEGG C11086
ChemIDPlus 002212671