Bismuthiol II Hydrate - ≥98% , CAS No.6336-51-2

CAS: 6336-51-2 Cat. No.: B101290 분자식: C₈H₅KN₂S₃·xH₂O 분자량: 264.43 Beilstein Registry Number: 27679 EC 번호: 228-718-1

GRADE & PURITY ≥98%

Synonyms

AKOS015902685 | EN300-05202 | Bismuthiol II | D88759 | 3-phenyl-5-mercapto-1,3,4-thiazolethione potassium salt | MFCD01436141 | AS-83062 | potassium 4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazole-2-thiolate | AKOS002303294 | 2,5-Dimercapto-4-phenyl-1,3,4

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

AKOS015902685 | EN300-05202 | Bismuthiol II | D88759 | 3-phenyl-5-mercapto-1,3,4-thiazolethione potassium salt | MFCD01436141 | AS-83062 | potassium 4-phenyl-5-thioxo-4,5-dihydro-1,3,4-thiadiazole-2-thiolate | AKOS002303294 | 2,5-Dimercapto-4-phenyl-1,3,4

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488193649

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488193649

정식 스마일

C1=CC=C(C=C1)N2C(=S)SC(=N2)[S-].[K+]

IUPAC Name

potassium;4-phenyl-5-sulfanylidene-1,3,4-thiadiazole-2-thiolate

InChIKey

QSKDCVGFAPHSHX-UHFFFAOYSA-M

INCHI

1S/C8H6N2S3.K/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6;/h1-5H,(H,9,11);/q;+1/p-1

이성체 SMILES

C1=CC=C(C=C1)N2C(=S)SC(=N2)[S-].[K+]

WGK 독일

3

RTECS

XI4815000

분자량

264.43

Beilstein

27679

Reaxy-Rn

3771173

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3771173&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: Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic potassium salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organosulfur compound - 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

화학 및 물리적 특성

• 녹는점(°C): 242-246°C
• 분자량: 264.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 263.925 Da
• Monoisotopic Mass: 263.925 Da
• Topological Polar Surface Area: 74.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 251.000
• 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: 2

XLogP3