CL-423237 - ≥98% , CAS No.91215-17-7

CAS: 91215-17-7 Cat. No.: C416710 분자식: C₁₁H₁₄N₂S 분자량: 206.31 EC 번호: 100-336-9

GRADE & PURITY ≥98%

Synonyms

(4,5-Dihydro-thiazol-2-yl)-phenethyl-amine | MLS001174248 | DTXSID40368530 | WAY-106577 | SCHEMBL2017733 | N-Phenethyl-4,5-dihydrothiazol-2-amine | 3-tert-Butoxycarbonylamino-5-tert-butylthiophene-2-carboxylicacid | N-(2-phenylethyl)-4,5-dihydro-1,3-thiaz

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Antimicrobial activity

Specifications

동의어

(4,5-Dihydro-thiazol-2-yl)-phenethyl-amine | MLS001174248 | DTXSID40368530 | WAY-106577 | SCHEMBL2017733 | N-Phenethyl-4,5-dihydrothiazol-2-amine | 3-tert-Butoxycarbonylamino-5-tert-butylthiophene-2-carboxylicacid | N-(2-phenylethyl)-4,5-dihydro-1,3-thiaz

사양 및 순도

≥98%

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.

순수함

≥98%

제품 특성

• ALogP: -1.213
• hba_count: 5
• HBD 수: 3
• 회전 가능한 결합: 4

이름과 식별자

• Pubchem Sid: 504760726
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760726
• 정식 스마일: C1CSC(=N1)NCCC2=CC=CC=C2
• IUPAC Name: N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
• InChIKey: WMGJVTLPBGGVBQ-UHFFFAOYSA-N
• INCHI: 1S/C11H14N2S/c1-2-4-10(5-3-1)6-7-12-11-13-8-9-14-11/h1-5H,6-9H2,(H,12,13)
• 이성체 SMILES: C1CSC(=N1)NCCC2=CC=CC=C2
• 분자량: 206.31
• Reaxy-Rn: 975481
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=975481&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Thiazolines Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Meta-thiazoline - Isothiourea - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• DMSO(mM) 최대 용해도: 10
• 분자량: 206.310 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 206.088 Da
• Monoisotopic Mass: 206.088 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 197.000
• 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