1-Thioglycerol - ≥98.5%(GC), Matrix for FAB-MS and liquid SIMS , CAS No.96-27-5

CAS: 96-27-5 Cat. No.: T109441 분자식: C₃H₈O₂S 분자량: 108.16 Beilstein Registry Number: 1732046 EC 번호: 202-495-0 PubChem CID: 7291

GRADE & PURITY ≥98.5%(GC), Matrix for FAB-MS and liquid SIMS

Synonyms

NCGC00260427-01 | 1,2-Propanediol, 3-mercapto- | HSDB 2184 | D92320 | 2,3-Dihydroxypropanethiol | 3-Mercapto-1,2-propanediole | 3-Sulfanyl-1,2-propanediol # | CHEBI:74537 | NSC5370 | NSC-5370 | Monothioglycerol [NF] | Monothioglycerol (NF) | 1-Mercapto-2,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

동의어

NCGC00260427-01 | 1,2-Propanediol, 3-mercapto- | HSDB 2184 | D92320 | 2,3-Dihydroxypropanethiol | 3-Mercapto-1,2-propanediole | 3-Sulfanyl-1,2-propanediol # | CHEBI:74537 | NSC5370 | NSC-5370 | Monothioglycerol [NF] | Monothioglycerol (NF) | 1-Mercapto-2,

사양 및 순도

≥98.5%(GC), Matrix for FAB-MS and liquid SIMS

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥98.5%(GC)

이름과 식별자

• Pubchem Sid: 504751293
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751293
• 정식 스마일: C(C(CS)O)O
• IUPAC Name: 3-sulfanylpropane-1,2-diol
• InChIKey: PJUIMOJAAPLTRJ-UHFFFAOYSA-N
• INCHI: 1S/C3H8O2S/c4-1-3(5)2-6/h3-6H,1-2H2
• 이성체 SMILES: C(C(CS)O)O
• WGK 독일: 3
• RTECS: TY8140000
• PubChem CID: 7291
• UN 번호: 2810
• 포장 그룹: III
• 분자량: 108.16
• Beilstein: 1732046
• Reaxy-Rn: 1732046

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Polyols
• Direct Parent: 1,2-diols
• Alternative Parents: Secondary alcohols Alkylthiols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Secondary alcohol - 1,2-diol - Alkylthiol - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
• External Descriptors: a small molecule

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)

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Moisture and Air sensitive
• 굴절률: n20/D 1.525-1.53
• 발화점(°F): 210.2°F(lit.)
• 발화점(°C): 99°C(lit.)
• 끓는점(°C): 118°C
• 분자량: 108.160 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 108.025 Da
• Monoisotopic Mass: 108.025 Da
• Topological Polar Surface Area: 41.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 32.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1