Imb-10 , CAS No.307525-40-2

CAS: 307525-40-2 Cat. No.: I1046007 분자식: C₁₉H₁₅NOS₂ 분자량: 337.46 EC 번호: 695-505-1 PubChem CID: 1555648

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

작업 유형

INHIBITOR

이름과 식별자

• 정식 스마일: CC1=CC=CC=C1N2C(=O)C(=CC=CC3=CC=CC=C3)SC2=S
• IUPAC Name: (5Z)-3-(2-methylphenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• InChIKey: UYZLENPCNZVWQZ-DNZSEPECSA-N
• INCHI: 1S/C19H15NOS2/c1-14-8-5-6-12-16(14)20-18(21)17(23-19(20)22)13-7-11-15-9-3-2-4-10-15/h2-13H,1H3/b11-7+,17-13-
• 이성체 SMILES: CC1=CC=CC=C1N2C(=O)/C(=C/C=C/C3=CC=CC=C3)/SC2=S
• WGK 독일: 3
• PubChem CID: 1555648
• 분자량: 337.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Toluenes Thiazolidinethiones Carboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Styrene - Toluene - Thiazolidinethione - Thiazolidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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: 337.500 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 337.06 Da
• Monoisotopic Mass: 337.06 Da
• Topological Polar Surface Area: 77.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 519.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1