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DASB - ≥95% , CAS No.627490-01-1

DASB - ≥95% , CAS No.627490-01-1

Name: DASB - ≥95% , CAS No.627490-01-1
SKU: B669100
Availability: InStock

CAS: 627490-01-1 Cat. No.: B669100 분자식: C₁₆H₁₇N₃S 분자량: 283.39

COA

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DASB - ≥95% CAS No(627490-01-1) by Aladdin Scientific

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주문 가능

GRADE & PURITY ≥95%

Synonyms

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications 제품 특성 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

🧪

Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어

사양 및 순도

≥95%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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

순수함

≥95%

제품 특성

ALogP	2.9

이름과 식별자

Pubchem Sid	528764089
정식 스마일	CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)C#N)N
IUPAC Name	3-amino-4-[2-[(dimethylamino)methyl]phenyl]sulfanylbenzonitrile
InChIKey	UVWLEPXXYOYDGR-UHFFFAOYSA-N
INCHI	1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3
이성체 SMILES	CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)C#N)N
분자량	283.39
Reaxy-Rn	8699082
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8699082&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - 분류 Thioethers
    - Subclass Aryl thioethers

Kingdom	Organic compounds
Superclass	Organosulfur compounds
분류	Thioethers
Subclass	Aryl thioethers
Intermediate Tree Nodes	Not available
Direct Parent	Diarylthioethers
Alternative Parents	Thiophenol ethers Phenylmethylamines Benzylamines Benzonitriles Aniline and substituted anilines Aralkylamines Trialkylamines Sulfenyl compounds Nitriles Primary amines Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diarylthioether - Benzonitrile - Benzylamine - Aniline or substituted anilines - Phenylmethylamine - Thiophenol ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Sulfenyl compound - Nitrile - Carbonitrile - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Amine - Aromatic homomonocyclic compound
설명	This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors	Not available
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

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Lot Number	Certificate Type	날짜	항목
B2625393	Certificate of Analysis	Feb 06, 2026	B669100
B2625394	Certificate of Analysis	Feb 06, 2026	B669100
B2625395	Certificate of Analysis	Feb 06, 2026	B669100

분자량	283.400 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	283.114 Da
Monoisotopic Mass	283.114 Da
Topological Polar Surface Area	78.400 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	349.000
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