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(5-Mercapto-4-methyl-4H-1，2，4-triazol-3-yl)methanol - ≥95%, high purity , CAS No.65029-36-9

COA

Grade & Purity:

≥95%

Cas Number: 65029-36-9
Molecular Weight: 145.18
PubChem CID: 15080909

In stock

Item Number

M728221

Grouped product items
SKU	Size	Availability	Price	Qty
M728221-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,094.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Triazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Triazoles
Intermediate Tree Nodes	Not available
Direct Parent	Triazoles
Alternative Parents	Triazolines Heteroaromatic compounds Azacyclic compounds Primary alcohols Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Triazoline - Heteroaromatic compound - 1,2,4-triazole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as triazoles. These are compounds containing a five-member aromatic ring of two carbon atoms and three nitrogen atoms.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	3-(hydroxymethyl)-4-methyl-1H-1,2,4-triazole-5-thione
INCHI	InChI=1S/C4H7N3OS/c1-7-3(2-8)5-6-4(7)9/h8H,2H2,1H3,(H,6,9)
InChIKey	IBWZWRZRXBVCRS-UHFFFAOYSA-N
Smiles	CN1C(=NNC1=S)CO
Isomeric SMILES	CN1C(=NNC1=S)CO
PubChem CID	15080909
Molecular Weight	145.18

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	145.190 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	145.031 Da
Monoisotopic Mass	145.031 Da
Topological Polar Surface Area	80.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	167.000
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	1

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