7-Chlorothieno[3,2-d]pyrimidine - ≥98% , CAS No.31492-65-6

CAS: 31492-65-6 Cat. No.: C192678 분자식: C₆H₃ClN₂S 분자량: 170.62

GRADE & PURITY ≥98%

Synonyms

AKOS006228472 | C74618 | 7-Chlorothieno[3,2-d]pyrimidine 97% | MFCD02259408 | DS-5870 | A875891 | 7-Chlorothieno[3,2-d]pyrimidine | DTXSID20660105 | SCHEMBL4302108

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

AKOS006228472 | C74618 | 7-Chlorothieno[3,2-d]pyrimidine 97% | MFCD02259408 | DS-5870 | A875891 | 7-Chlorothieno[3,2-d]pyrimidine | DTXSID20660105 | SCHEMBL4302108

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• 정식 스마일: C1=C2C(=NC=N1)C(=CS2)Cl
• IUPAC Name: 7-chlorothieno[3,2-d]pyrimidine
• InChIKey: AFGLXVCTXPSKTG-UHFFFAOYSA-N
• INCHI: 1S/C6H3ClN2S/c7-4-2-10-5-1-8-3-9-6(4)5/h1-3H
• 이성체 SMILES: C1=C2C(=NC=N1)C(=CS2)Cl
• 분자량: 170.62
• Reaxy-Rn: 972820
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972820&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Thienopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Thienopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyrimidines
• Alternative Parents: Pyrimidines and pyrimidine derivatives Aryl chlorides Thiophenes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyrimidine - Pyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiophene - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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: 170.620 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 169.971 Da
• Monoisotopic Mass: 169.971 Da
• Topological Polar Surface Area: 54.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 31492-65-6, the molecular formula is C6H3ClN2S, and the molecular weight is 170.62 g/mol. InChIKey AFGLXVCTXPSKTG-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.