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76151-68-3 | Benzothiazole, 2,2'-[methylenebis(sulfonyl)]bis-
CAS No: 76151-68-3 Catalog No: AG005FF4 MDL No:
Product Description
Catalog Number:
AG005FF4
Chemical Name:
Benzothiazole, 2,2'-[methylenebis(sulfonyl)]bis-
CAS Number:
76151-68-3
Molecular Formula:
C15H10N2O4S4
Molecular Weight:
410.5109
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfonylmethylsulfonyl)-1,3-benzothiazole
InChI:
InChI=1S/C15H10N2O4S4/c18-24(19,14-16-10-5-1-3-7-12(10)22-14)9-25(20,21)15-17-11-6-2-4-8-13(11)23-15/h1-8H,9H2
InChI Key:
MVHZFUNOUXSSOP-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1nc2c(s1)cccc2)CS(=O)(=O)c1nc2c(s1)cccc2
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.952g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.495g/mol
Monoisotopic Mass:
409.952g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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