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

CAS: 96-27-5 Cat. No.: T109441 分子式: C₃H₈O₂S 分子量: 108.16 Beilstein Registry Number: 1732046 EC番号: 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

同義語

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,

仕様と純度

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

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98.5%(GC)

名前と識別子

パブケム・シド

504751293

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751293

カノニカル・スマイル

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

異性体SMILES

C(C(CS)O)O

WGKドイツ

3

RTECS

TY8140000

PubChem CID

7291

UN番号

2810

包装グループ

III

分子量

108.16

Beilstein

1732046

Reaxy-Rn

1732046

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

Plasmodium falciparum (966862 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 感度: Moisture and Air sensitive
• 屈折率: n20/D 1.525-1.53
• 引火点（°F）: 210.2°F(lit.)
• 引火点（°C）: 99°C(lit.)
• 沸点（°C）: 118°C
• 分子量: 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