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

CAS: 96-27-5 Cat. No.: T109441 Formule: C₃H₈O₂S Poids moléculaire: 108.16 Beilstein Registry Number: 1732046 Numéro CE: 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

Synonymes

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,

Spécifications et pureté

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

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98.5%(GC)

Noms et identifiants

Pubchem Sid

504751293

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C(C(CS)O)O

WGK Allemagne

3

RTECS

TY8140000

PubChem CID

7291

Numéro ONU

2810

Groupe d'emballage

III

Poids moléculaire

108.16

Beilstein

1732046

Reaxy-Rn

1732046

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Moisture and Air sensitive
• Indice de réfraction: n20/D 1.525-1.53
• Point d'éclair (°F): 210.2°F(lit.)
• Point d'éclair (°C): 99°C(lit.)
• Point d'ébullition (°C): 118°C
• Poids moléculaire: 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