EPTC - analytical standard , CAS No.759-94-4

CAS: 759-94-4 Cat. No.: E114490 분자식: C₉H₁₉NOS 분자량: 189.32 Beilstein Registry Number: 1762751 EC 번호: 212-073-8

GRADE & PURITY Analytical standard

Synonyms

CCRIS 6035 | EPTC 10 microg/mL in Cyclohexane | FT-0632900 | S-Ethyl-N,N-dipropylthiocarbamate | AC-398 | Carbamic acid, dipropylthio-, S-ethyl ester | CHEBI:4738 | SCHEMBL66482 | S-Ethyl N,N-dipropylthiocarbamate | Caswell No. 435 | Genep EPTC | Ethyl N,

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

CCRIS 6035 | EPTC 10 microg/mL in Cyclohexane | FT-0632900 | S-Ethyl-N,N-dipropylthiocarbamate | AC-398 | Carbamic acid, dipropylthio-, S-ethyl ester | CHEBI:4738 | SCHEMBL66482 | S-Ethyl N,N-dipropylthiocarbamate | Caswell No. 435 | Genep EPTC | Ethyl N,

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

이름과 식별자

• 정식 스마일: CCCN(CCC)C(=O)SCC
• IUPAC Name: S-ethyl N,N-dipropylcarbamothioate
• InChIKey: GUVLYNGULCJVDO-UHFFFAOYSA-N
• INCHI: 1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3
• 이성체 SMILES: CCCN(CCC)C(=O)SCC
• WGK 독일: 1
• RTECS: FA4550000
• UN 번호: 2902
• 포장 그룹: I
• 분자량: 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • 분류 Thiocarbonyl compounds
      • Subclass Thiocarbamic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 분류: 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
• 설명: 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.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): >100 °C
• 발화점(°C): >100°C
• 분자량: 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

자주 묻는 질문

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 759-94-4, the molecular formula is C9H19NOS, and the molecular weight is 189.32 g/mol. InChIKey GUVLYNGULCJVDO-UHFFFAOYSA-N.

What does analytical standard mean?

analytical standard is a defined analytical purity tier suitable for quantitative analytical methods. It specifies a minimum assay percentage, controlled limits on common impurities (water, heavy metals, residue on ignition), and lot-to-lot consistency. analytical standard is one of several purity tiers — choose based on the sensitivity and regulatory requirements of your method.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.