N-티오닐아닐린 - ≥95% , CAS No.1122-83-4

CAS: 1122-83-4 Cat. No.: N159148 분자식: C₆H₅NOS 분자량: 139.17 Beilstein Registry Number: 507682 EC 번호: 214-362-4

GRADE & PURITY ≥95%

Synonyms

N-Phenyl-N-sulfinylamine;Phenylsulfinylamine | NSC40228 | NSC-40228 | Benzenamine, N-sulfinyl-, [N(E)]- | N-THIONYL ANILINE | Sulfurous imide, phenyl- | Thionylanilin | (N(E))-N-Sulfinylbenzenamine | n-(oxo-lambda4-sulfanylidene)aniline | N-Phenyl-N-sulfi

Storage

Argon charged,Room temperature

Shipped In

보통

Specifications

동의어

N-Phenyl-N-sulfinylamine;Phenylsulfinylamine | NSC40228 | NSC-40228 | Benzenamine, N-sulfinyl-, [N(E)]- | N-THIONYL ANILINE | Sulfurous imide, phenyl- | Thionylanilin | (N(E))-N-Sulfinylbenzenamine | n-(oxo-lambda4-sulfanylidene)aniline | N-Phenyl-N-sulfi

사양 및 순도

≥95%

보관 조건

Argon charged,Room temperature

배송

보통

순수함

≥95%

이름과 식별자

Pubchem Sid

488184583

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184583

정식 스마일

C1=CC=C(C=C1)N=S=O

IUPAC Name

(sulfinylamino)benzene

InChIKey

FIOJWGRGPONADF-UHFFFAOYSA-N

INCHI

1S/C6H5NOS/c8-9-7-6-4-2-1-3-5-6/h1-5H

이성체 SMILES

C1=CC=C(C=C1)N=S=O

WGK 독일

3

분자량

139.17

Beilstein

507682

Reaxy-Rn

507682

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507682&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: Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic homomonocyclic 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

화학 및 물리적 특성

• 용해성: Partly miscible in water.
• 감도: Air sensitive
• 굴절률: 1.627
• 발화점(°F): 183.2 °F
• 발화점(°C): 84°C
• 끓는점(°C): 200°C
• 분자량: 139.180 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 139.009 Da
• Monoisotopic Mass: 139.009 Da
• Topological Polar Surface Area: 30.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 125.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1122-83-4, the molecular formula is C6H5NOS, and the molecular weight is 139.17 g/mol. InChIKey FIOJWGRGPONADF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.