Thidiazuron - analytical standard , CAS No.51707-55-2

CAS: 51707-55-2 Cat. No.: T100900 분자식: C₉H₈N₄OS 분자량: 220.25 Beilstein Registry Number: 1078092 EC 번호: 257-356-7 PubChem CID: 40087

GRADE & PURITY Analytical standard

Synonyms

5-Phenylcarbamoylamino-1,2,3-thiadiazole | C18812 | Caswell No. 659A | EPA Pesticide Chemical Code 120301 | HSDB 7734 | NCGC00160490-01 | AKOS000505963 | BRN 1078092 | Thidiazuran | Thidiazuron, PESTANAL(R), analytical standard | (phenylamino)-N-(1,2,3-th

Storage

Room temperature

Shipped In

Normal

개요

Thidiazuron (TDZ) is a plant growth regulator used in micropropagations to supplement media such as Murashige and Skoog medium. TDZ promotes plant organogenesis (shoot regeneration) and plant regeneration. Thidiazuron (TDZ) enables the production of virus-free stock plants, speeds up breeding, and provides new genotypes for the market.

Specifications

동의어

5-Phenylcarbamoylamino-1,2,3-thiadiazole | C18812 | Caswell No. 659A | EPA Pesticide Chemical Code 120301 | HSDB 7734 | NCGC00160490-01 | AKOS000505963 | BRN 1078092 | Thidiazuran | Thidiazuron, PESTANAL(R), analytical standard | (phenylamino)-N-(1,2,3-th

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

이름과 식별자

Pubchem Sid

508812995

정식 스마일

C1=CC=C(C=C1)NC(=O)NC2=CN=NS2

IUPAC Name

1-phenyl-3-(thiadiazol-5-yl)urea

InChIKey

HFCYZXMHUIHAQI-UHFFFAOYSA-N

INCHI

1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)

이성체 SMILES

C1=CC=C(C=C1)NC(=O)NC2=CN=NS2

WGK 독일

3

RTECS

YU1395000

PubChem CID

40087

분자량

220.25

Beilstein

1078092

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Thiadiazoles Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylurea - Azole - Thiadiazole - Heteroaromatic compound - Carbonic acid derivative - Urea - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
• External Descriptors: a small molecule

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)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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관련 대상(비인간)

Faah Anandamide amidohydrolase (3907 Activities)

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Amaranthus (163 Activities)

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Nicotiana tabacum (382 Activities)

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Triticum aestivum (1582 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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AHK4 Histidine kinase (36 Activities)

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CKX2 Cytokinin dehydrogenase 2 (21 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Nr1i2 Nuclear receptor subfamily 1 group I member 2 (14 Activities)

Discover Target: Nr1i2

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작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 213°C
• 분자량: 220.250 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 220.042 Da
• Monoisotopic Mass: 220.042 Da
• Topological Polar Surface Area: 95.200 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 220.000
• 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