O-isopropyl ethylthiocarbamate - ≥95% , CAS No.141-98-0

CAS: 141-98-0 Cat. No.: O769067 EC 번호: 205-517-7 PubChem CID: 3032295

GRADE & PURITY ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

사양 및 순도

≥95%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥95%

이름과 식별자

• 정식 스마일: CCNC(=S)OC(C)C
• IUPAC Name: O-propan-2-yl N-ethylcarbamothioate
• InChIKey: KIACEOHPIRTHMI-UHFFFAOYSA-N
• INCHI: 1S/C6H13NOS/c1-4-7-6(9)8-5(2)3/h5H,4H2,1-3H3,(H,7,9)
• 이성체 SMILES: CCNC(=S)OC(C)C
• 대체 CAS: 141-98-0
• PubChem CID: 3032295
• MeSH 용어: Dow Z-200;N-ethyl O-isopropyl thiocarbamate;Z 200;Z-200

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 esters
• Alternative Parents: Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thiocarbamic acid ester - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as thiocarbamic acid esters. These are organic compounds containing a functional group with the general structure R1OC(=S)N(R2)R3 (R1=alkyl, aryl; R2,R3=H, alkyl, aryl).
• External Descriptors: Not available

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

화학 및 물리적 특성

• 분자량: 147.240 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 147.072 Da
• Monoisotopic Mass: 147.072 Da
• Topological Polar Surface Area: 53.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 93.100
• 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

참고 문헌

1. Fan Feng, Haiyang He, Dan Liu, Siqing Liu, Jianjun Fang, Shuming Wen.  (2024)  Mechanism of Cu-Pb selective flotation separation based on quercetin as a novel depressant.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2024.128505]

2. Zeen Yu, Pingfeng Fu, Lianghua Wang, Yuliang Zhang, Wei Deng.  (2025)  Microbubble catalytic ozonation of refractory organic flotation reagents with steel slag and degradation pathways.  MINERALS ENGINEERING,      [PMID:] [10.1016/j.mineng.2025.109353]