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EPTC Standard - 1000ug/ml in Purge and Trap Methanol, high purity , CAS No.759-94-4
Basic Description
Synonyms
EPTC | S-Ethyl dipropylthiocarbamate | 759-94-4 | Torbin | EPTAM | Alirox | Niptan | Eptam 6E | Witox | Stauffer R 1608 | S-Ethyl-N,N-dipropylthiocarbamate | S-ethyl N,N-dipropylcarbamothioate | Genep EPTC | ERADICANE | S-Ethyl N,N-di-n-propylthiocarbamate | S-Ethyl N,N-dipropylthioca
Specifications & Purity
1000ug/ml in Purge and Trap Methanol
Storage Temp
Room temperature
Shipped In
Normal
Product Description
Pesticides Single Component Standards
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thiocarbonyl compounds
Subclass
Thiocarbamic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Thiocarbamic acid derivatives
Alternative Parents
Organic carbonic acids and derivatives Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Thiocarbamic acid derivative - Carbonic acid derivative - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as thiocarbamic acid derivatives. These are organic compounds containing a functional group with the general structure OC(=S)NR2 or SC(=O)NR2.
External Descriptors
s -triazine
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
S-ethyl N,N-dipropylcarbamothioate
INCHI
InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3
InChIKey
GUVLYNGULCJVDO-UHFFFAOYSA-N
Smiles
CCCN(CCC)C(=O)SCC
Isomeric SMILES
CCCN(CCC)C(=O)SCC
WGK Germany
1
RTECS
FA4550000
UN Number
2902
Packing Group
I
Molecular Weight
189.32
Beilstein
1762751
Reaxy-Rn
1762751
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1762751&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
>100 °C
Flash Point(°C)
>100°C
Molecular Weight
189.320 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
6
Exact Mass
189.119 Da
Monoisotopic Mass
189.119 Da
Topological Polar Surface Area
45.600 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
122.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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F1516014