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4886-13-9,MFCD00173834
Catalog No.:AA00D9UV

4886-13-9 | 3,5-Bis(methylthio)isothiazole-4-carbonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
in stock  
$86.00   $60.00
- +
1g
in stock  
$158.00   $110.00
- +
5g
in stock  
$585.00   $409.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D9UV
Chemical Name:
3,5-Bis(methylthio)isothiazole-4-carbonitrile
CAS Number:
4886-13-9
Molecular Formula:
C6H6N2S3
Molecular Weight:
202.3202
MDL Number:
MFCD00173834
SMILES:
N#Cc1c(SC)snc1SC
NSC Number:
202664
Properties
Computed Properties
 
Complexity:
176  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.4  

Literature

Title: Synthesis and antiviral activity of a new series of 4-isothiazolecarbonitriles.

Journal: Bioorganic & medicinal chemistry 19981201

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SDS
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Tags:4886-13-9 Molecular Formula|4886-13-9 MDL|4886-13-9 SMILES|4886-13-9 3,5-Bis(methylthio)isothiazole-4-carbonitrile
Catalog No.: AA00D9UV
4886-13-9,MFCD00173834
4886-13-9 | 3,5-Bis(methylthio)isothiazole-4-carbonitrile
Pack Size： 250mg
Purity：
in stock
$86.00 $60.00
Pack Size： 1g
Purity：
in stock
$158.00 $110.00
Pack Size： 5g
Purity：
in stock
$585.00 $409.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00D9UV
Chemical Name: 3,5-Bis(methylthio)isothiazole-4-carbonitrile
CAS Number: 4886-13-9
Molecular Formula: C6H6N2S3
Molecular Weight: 202.3202
MDL Number: MFCD00173834
SMILES: N#Cc1c(SC)snc1SC
NSC Number: 202664
Properties
Complexity: 176  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.4  
Literature fold

Title: Synthesis and antiviral activity of a new series of 4-isothiazolecarbonitriles.

Journal: Bioorganic & medicinal chemistry19981201

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