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18686-82-3,MFCD00040404
Catalog No.:AA003HF7
18686-82-3 | 1,3,4-Thiadiazole-2-thiol
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5g
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$12.00
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25g
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$40.00
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100g
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$134.00
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500g
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HF7
Chemical Name:
1,3,4-Thiadiazole-2-thiol
CAS Number:
18686-82-3
Molecular Formula:
C2H2N2S2
Molecular Weight:
118.1807
MDL Number:
MFCD00040404
IUPAC Name:
3H-1,3,4-thiadiazole-2-thione
InChI:
InChI=1S/C2H2N2S2/c5-2-4-3-1-6-2/h1H,(H,4,5)
InChI Key:
JLAMDELLBBZOOX-UHFFFAOYSA-N
SMILES:
Sc1nncs1
EC Number:
242-504-5
NSC Number:
184817
Properties
Computed Properties
 
Complexity:
97.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.966g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
118.172g/mol
Monoisotopic Mass:
117.966g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
5-mercapto-1,3,4-thiadiazole 
18686-82-3 
5-Mercapto-1,3,4-thiadiazole 
EINECS 242-504-5 
MTD:2-Mereapto-1,3,4-Thiadiazole 
ACMC-20ansd 
NSC 184817 
PubChem10119 
AC1MHX9Z 
SCHEMBL95689 
KSC177E6P 
1,3,4-thiadiazole-2-thione 
2-mercapto-1,3,4-thiadiazole 
[1,3,4]thiadiazol-2-thiol 
Jsp003830 
2-Mereapto-1,3,4-Thiadiazole 
DTXSID8066399 
2-Sulphanyl-1,3,4-thiadiazole 
CTK0H7267 
KS-00000ZLU 
1,3,4-thiadiazolium-2-thiolate 
1,3,4-thiadiazolium-5-thiolate 
1,4-Thiadiazole-2(3H)-thione 
1,3,4-thiadiazole-2-thiol 
2-mercapto-[1,3,4]thiadiazole 
JLAMDELLBBZOOX-UHFFFAOYSA-N 
BCP12085 
STR09095 
ZINC5226028 
CM-009 
NSC184817 
SBB041074 
STL301389 
AKOS000120555 
2-MERCAPTO-1,3,4-THIADIAZOL 
AKOS028108738 
AC-5580 
ACN-045427 
MCULE-7722306009 
NSC-184817 
RL02376 
RTR-008636 
TRA0035554 
VZ24825 
AN-10828 
1,3,4-Thiadiazole-2(3H)-thione 
BP-12496 
SC-01999 
AB0008310 
DB-044620 
TR-008636 
FT-0612740 
ST50214737 
K-5618 
686M823 
I09-0059 
2-MERCAPTO THIADIAZOLE 
W-107777 
Z1913043764 
Ambroxol Base 
C2H2N2S2 
C2-H2-N2-S2 
ZINC05226028 
CID3034302 
T2884 
2-Amino-3,5-dibromo-N-(trans-4-hydroxycyclohexyl)benzylamine 
3H-1,3,4-thiadiazole-2-thione 
MFCD00040404 
1,3,4-THIADIAZOL-2-YL HYDROSULFIDE 
Literature

Title: N-heterocyclic dicarboxylic acids: broad-spectrum inhibitors of metallo-β-lactamases with co-antibacterial effect against antibiotic-resistant bacteria.

Journal: Bioorganic & medicinal chemistry letters 20120815

Title: 5-Eth-oxy-1,3,4-thia-diazole-2(3H)-thione.

Journal: Acta crystallographica. Section E, Structure reports online 20120201

Title: Novel biotransformation process of podophyllotoxin to 4 β-sulfur-substituted podophyllum derivates with anti-tumor activity by Penicillium purpurogenum Y.J. Tang.

Journal: Current medicinal chemistry 20120101

Title: N-(5-Sulfanyl-idene-4,5-dihydro-1,3,4-thia-diazol-2-yl)acetamide dimethyl sulfoxide disolvate.

Journal: Acta crystallographica. Section E, Structure reports online 20120101

Title: Solid phase extraction of trace amounts of Ag, Cd, Cu, and Zn in environmental samples using magnetic nanoparticles coated by 3-(trimethoxysilyl)-1-propantiol and modified with 2-amino-5-mercapto-1,3,4-thiadiazole and their determination by ICP-OES.

Journal: Journal of hazardous materials 20110615

Title: A facile synthesis and anticancer activity evaluation of spiro[thiazolidinone-isatin] conjugates.

Journal: Scientia pharmaceutica 20110101

Title: 2,2'-Bi-1,3,4-thia-diazole-5,5'-diamine tetra-hydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20100901

Title: Bis(1,3,4-thia-diazol-2-yl) disulfide.

Journal: Acta crystallographica. Section E, Structure reports online 20091001

Title: Quantitative structure-activity relationship (QSAR) studies on a series of 1,3,4-thiadiazole-2-thione derivatives as tumor-associated carbonic anhydrase IX inhibitors.

Journal: Journal of enzyme inhibition and medicinal chemistry 20090601

Title: [5-(4-Bromo-phenoxy-meth-yl)-1,3,4-thia-diazole-2-thiol-ato]triphenyl-tin(IV).

Journal: Acta crystallographica. Section E, Structure reports online 20090501

Title: Design, synthesis, and docking studies of new 1,3,4-thiadiazole-2-thione derivatives with carbonic anhydrase inhibitory activity.

Journal: Bioorganic & medicinal chemistry 20071115

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