200,000+ products from a single source!
sales@angenechem.com
22274-87-9 | 2(3H)-Benzothiazolethione,3,3'-(dithiodi-2,1-ethanediyl)bis- (9CI)
CAS No: 22274-87-9 Catalog No: AG007OYL MDL No:
Product Description
Catalog Number:
AG007OYL
Chemical Name:
2(3H)-Benzothiazolethione,3,3'-(dithiodi-2,1-ethanediyl)bis- (9CI)
CAS Number:
22274-87-9
Molecular Formula:
C18H16N2S6
Molecular Weight:
452.7230
IUPAC Name:
3-[2-[2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethyldisulfanyl]ethyl]-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C18H16N2S6/c21-17-19(13-5-1-3-7-15(13)25-17)9-11-23-24-12-10-20-14-6-2-4-8-16(14)26-18(20)22/h1-8H,9-12H2
InChI Key:
CGGOWLWTNIXFIZ-UHFFFAOYSA-N
SMILES:
S=c1sc2c(n1CCSSCCn1c(=S)sc3c1cccc3)cccc2
UNII:
IEW4AL9DDQ
NSC Number:
125829
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.964g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.7g/mol
Monoisotopic Mass:
451.964g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.