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113698-72-9

113698-72-9 | [1,3]Dithiolo[4,5-c]isothiazole-3-carbonitrile, 5-thioxo-

CAS No: 113698-72-9 Catalog No: AG0009CW MDL No:

Product Description

Catalog Number:
AG0009CW
Chemical Name:
[1,3]Dithiolo[4,5-c]isothiazole-3-carbonitrile, 5-thioxo-
CAS Number:
113698-72-9
Molecular Formula:
C5N2S4
Molecular Weight:
216.3269
IUPAC Name:
5-sulfanylidene-[1,3]dithiolo[4,5-c][1,2]thiazole-3-carbonitrile
InChI:
InChI=1S/C5N2S4/c6-1-2-3-4(7-11-2)10-5(8)9-3
InChI Key:
CIVAXKWCRJBEKO-UHFFFAOYSA-N
SMILES:
N#Cc1snc2c1sc(=S)s2

Properties

Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.894g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.309g/mol
Monoisotopic Mass:
215.894g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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