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Home Other Building Blocks 3-Methylmercapto-5-mercapto-1,2,4-thiadiazole

3-Methylmercapto-5-mercapto-1,2,4-thiadiazole

CAS No.:
20069-40-3
Catalog Number:
AG002CWT
Molecular Formula:
C3H4N2S3
Molecular Weight:
164.2723
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$102
- +
5g
95%
In Stock USA
United States
$313
- +
Product Description
Catalog Number:
AG002CWT
Chemical Name:
3-Methylmercapto-5-mercapto-1,2,4-thiadiazole
CAS Number:
20069-40-3
Molecular Formula:
C3H4N2S3
Molecular Weight:
164.2723
MDL Number:
MFCD00799292
IUPAC Name:
3-methylsulfanyl-2H-1,2,4-thiadiazole-5-thione
InChI:
InChI=1S/C3H4N2S3/c1-7-2-4-3(6)8-5-2/h1H3,(H,4,5,6)
InChI Key:
UCNLRHTYRUUSGJ-UHFFFAOYSA-N
SMILES:
CSc1nc(=S)s[nH]1
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.954g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.259g/mol
Monoisotopic Mass:
163.954g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Bis(4-fluoro-benz-yl)bis-(4-phenyl-5-sulfanyl-idene-4,5-dihydro-1,3,4-thio-diazole-2-thiol-ato)tin(IV). Acta crystallographica. Section E, Structure reports online 20120101
Bis(4-fluoro-benz-yl-κC)bis-(3-methyl-sulfanyl-1,2,4-thia-diazole-5-thiol-ato-κN,S)tin(IV). Acta crystallographica. Section E, Structure reports online 20111201
catena-Poly[[(3-methyl-sulfanyl-1,2,4-thia-diazole-5-thiol-ato)sodium]di-μ-aqua-κO:O]. Acta crystallographica. Section E, Structure reports online 20100101
Properties