2-Amino-5-mercapto-1,3,4-thiadiazole - ≥98%(HPLC) , CAS No.2349-67-9

CAS: 2349-67-9 Cat. No.: A130041 Peso molecular: 133.2 Beilstein Registry Number: 81728 Número EC: 219-078-4

GRADE & PURITY ≥98%(HPLC)

Synonyms

1,4-Thiadiazole-2(3H)-thione, 5-amino- | DTXSID1051486 | 1,3,4-Thiadiazole-2(3H)-thione, 5-amino- | 2-Mercapto-5-amino-1,4-thiadiazole | CCRIS 6893 | DB12348 | 2-Thiol-5-amino-1,4-thiadiazole | 2-Amino-.delta.2-1,3,4-thiadiazoline-5-thione | 5-amino-3H-1,

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

1, 4-Thiadiazole-2(3H)-thione, 5-amino- | DTXSID1051486 | 1, 3, 4-Thiadiazole-2(3H)-thione, 5-amino- | 2-Mercapto-5-amino-1, 4-thiadiazole | CCRIS 6893 | DB12348 | 2-Thiol-5-amino-1, 4-thiadiazole | 2-Amino-.delta.2-1, 3, 4-thiadiazoline-5-thione | 5-amino-3H-1,

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488192203
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192203
• Sonrisas canónicas: C1(=NNC(=S)S1)N
• IUPAC Name: 5-amino-3H-1,3,4-thiadiazole-2-thione
• InChIKey: GDGIVSREGUOIJZ-UHFFFAOYSA-N
• INCHI: 1S/C2H3N3S2/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)
• Isómeros SMILES: C1(=NNC(=S)S1)N
• WGK Alemania: 3
• RTECS: XI4550000
• Peso molecular: 133.2
• Beilstein: 81728
• Reaxy-Rn: 81728
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81728&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Objetivos asociados (humanos)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Punto de fusión (°C): 235°C
• Peso molecular: 133.200 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 132.977 Da
• Monoisotopic Mass: 132.977 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 129.000
• 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

Referencias

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3. Liu-Qin Zhang, Hua-Li Li, Xiao-Hu Zhang, Qiu-Ping Li, Shu-Wen Luo, Fa-Qian Liu.  (2022)  Antibiofouling Performance of a Metal-Organic Gel Based on 2-Amino-5-Mercapto-1,3,4-Thiadiazole and CuI.  Advanced Materials Interfaces,  9  (35): (2201688).  [PMID:] [10.1002/admi.202201688]

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10. Rui Yin, Yuhang Liu, Yi Luo, Jia Yan, Jialiang Li, Duo Chen, Tao Sun, Shichao Li, Zhanjun Wu.  (2025)  Enhancing the liquid oxygen compatibility of epoxy resin by introducing a novel phosphorus / sulfur-containing flame retardant.  POLYMER DEGRADATION AND STABILITY,      [PMID:] [10.1016/j.polymdegradstab.2025.111296]

11. Lijuan Zhu, Chun Feng, Pengao Yu, Yuchi Guo, Zongxue Yu, Xiaofeng Bai, Yuji Li.  (2025)  Dual-Layer Anticorrosion Coating: Advanced Multifunctional Coating with Both Superhydrophobicity and pH-Responsive Behavior.  LANGMUIR,      [PMID:40990381] [10.1021/acs.langmuir.5c03577]

12. Jing Li, Ying-Xia Ma, Shi-Fan Chang, Wen-Jing Li, Rui-Xiang Wu, Zhi-Da Wang, Yu-Ting Chai, Fen Ran.  (2025)  Fabrication of S, N and O conjugated coordination Ni-MOFs with high electrochemical performance for self-regenerative asymmetric supercapacitor.  JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS,      [PMID:] [10.1016/j.jpcs.2025.113062]

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