(5-Amino-1,3,4-thiadiazol-2-yl)methanol - ≥97% , CAS No.56951-58-7

CAS: 56951-58-7 Cat. No.: A589512 Molecular Weight: 131.16 EC Number: 819-578-8

GRADE & PURITY ≥97%

Synonyms

AT18876 | AKOS010133368 | SCHEMBL282865 | 2-amino-5-hydroxymethyl-1,3,4-thiadiazole | BS-51543 | URCCVQJLYSKFBQ-UHFFFAOYSA-N | Z600620432 | EN300-114425 | A924357 | MFCD12766834 | (5-amino-1,3,4-thiadiazol-2-yl)methanol

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

AT18876 | AKOS010133368 | SCHEMBL282865 | 2-amino-5-hydroxymethyl-1, 3, 4-thiadiazole | BS-51543 | URCCVQJLYSKFBQ-UHFFFAOYSA-N | Z600620432 | EN300-114425 | A924357 | MFCD12766834 | (5-amino-1, 3, 4-thiadiazol-2-yl)methanol

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C(C1=NN=C(S1)N)O
• IUPAC Name: (5-amino-1,3,4-thiadiazol-2-yl)methanol
• InChIKey: URCCVQJLYSKFBQ-UHFFFAOYSA-N
• INCHI: 1S/C3H5N3OS/c4-3-6-5-2(1-7)8-3/h7H,1H2,(H2,4,6)
• Isomeric SMILES: C(C1=NN=C(S1)N)O
• Molecular Weight: 131.16
• Reaxy-Rn: 971818
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=971818&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiadiazoles
        • Level5 Aminothiadiazoles
          • Level6 2-amino-1,3,4-thiadiazoles
            • Level7 2-amino-5-substituted-1,3,4-thiadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiadiazoles
• Intermediate Tree Nodes: Aminothiadiazoles - 2-amino-1,3,4-thiadiazoles
• Direct Parent: 2-amino-5-substituted-1,3,4-thiadiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-amino-5-substituted-1,3,4-thiadiazole - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-amino-5-substituted-1,3,4-thiadiazoles. These are thiadiazoles with an amino group attached to the 2-position of a 1,3,4-thiadiazole ring, as well as a substituent at the 5-position.
• 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

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 131.160 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 131.015 Da
• Monoisotopic Mass: 131.015 Da
• Topological Polar Surface Area: 100.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 80.900
• 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