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88217-89-4 | 1,2-Benzisothiazole-3(2H)-thione, 2,2'-(1,3-propanediyl)bis-
CAS No: 88217-89-4 Catalog No: AG004DFQ MDL No:
Product Description
Catalog Number:
AG004DFQ
Chemical Name:
1,2-Benzisothiazole-3(2H)-thione, 2,2'-(1,3-propanediyl)bis-
CAS Number:
88217-89-4
Molecular Formula:
C17H14N2S4
Molecular Weight:
374.5665
IUPAC Name:
2-[3-(3-sulfanylidene-1,2-benzothiazol-2-yl)propyl]-1,2-benzothiazole-3-thione
InChI:
InChI=1S/C17H14N2S4/c20-16-12-6-1-3-8-14(12)22-18(16)10-5-11-19-17(21)13-7-2-4-9-15(13)23-19/h1-4,6-9H,5,10-11H2
InChI Key:
WMXKBDAUJQRVTG-UHFFFAOYSA-N
SMILES:
S=c1n(CCCn2sc3c(c2=S)cccc3)sc2c1cccc2
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.004g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.553g/mol
Monoisotopic Mass:
374.004g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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