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77860-11-8 | 2(3H)-Benzothiazolethione,3-[(2-benzothiazolylthio)methyl]-
CAS No: 77860-11-8 Catalog No: AG00GQSF MDL No:
Product Description
Catalog Number:
AG00GQSF
Chemical Name:
2(3H)-Benzothiazolethione,3-[(2-benzothiazolylthio)methyl]-
CAS Number:
77860-11-8
IUPAC Name:
3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C15H10N2S4/c18-15-17(11-6-2-4-8-13(11)21-15)9-19-14-16-10-5-1-3-7-12(10)20-14/h1-8H,9H2
InChI Key:
GESYYSDCKVYAJF-UHFFFAOYSA-N
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.973g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.499g/mol
Monoisotopic Mass:
345.973g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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