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27643-13-6 | Isothiazole, 5,5'-dithiobis[3-methyl- (8CI,9CI)
CAS No: 27643-13-6 Catalog No: AG002UB5 MDL No:
Product Description
Catalog Number:
AG002UB5
Chemical Name:
Isothiazole, 5,5'-dithiobis[3-methyl- (8CI,9CI)
CAS Number:
27643-13-6
Molecular Formula:
C8H8N2S4
Molecular Weight:
260.4225
IUPAC Name:
3-methyl-5-[(3-methyl-1,2-thiazol-5-yl)disulfanyl]-1,2-thiazole
InChI:
InChI=1S/C8H8N2S4/c1-5-3-7(11-9-5)13-14-8-4-6(2)10-12-8/h3-4H,1-2H3
InChI Key:
FFYUWIHEWSDRRG-UHFFFAOYSA-N
SMILES:
Cc1nsc(c1)SSc1snc(c1)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.957g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.406g/mol
Monoisotopic Mass:
259.957g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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