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1026-67-1

1026-67-1 | 4-Isothiazolecarbonitrile, 5,5'-dithiobis[3-chloro- (7CI,8CI,9CI)

CAS No: 1026-67-1 Catalog No: AG0007VX MDL No:

Product Description

Catalog Number:
AG0007VX
Chemical Name:
4-Isothiazolecarbonitrile, 5,5'-dithiobis[3-chloro- (7CI,8CI,9CI)
CAS Number:
1026-67-1
Molecular Formula:
C8Cl2N4S4
Molecular Weight:
351.2784
IUPAC Name:
3-chloro-5-[(3-chloro-4-cyano-1,2-thiazol-5-yl)disulfanyl]-1,2-thiazole-4-carbonitrile
InChI:
InChI=1S/C8Cl2N4S4/c9-5-3(1-11)7(15-13-5)17-18-8-4(2-12)6(10)14-16-8
InChI Key:
VASZOARBXGCOGH-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)nsc1SSc1snc(c1C#N)Cl

Properties

Complexity:
368  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.838g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.256g/mol
Monoisotopic Mass:
349.838g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  

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