200,000+ products from a single source!
sales@angenechem.com
Home > Other Heterocycles > 99643-40-0
99643-40-0 | 2,2'-Spirobi[naphtho[2,3-d]-1,3-dithiole](9CI)
CAS No: 99643-40-0 Catalog No: AG005S10 MDL No:
Product Description
Catalog Number:
AG005S10
Chemical Name:
2,2'-Spirobi[naphtho[2,3-d]-1,3-dithiole](9CI)
CAS Number:
99643-40-0
Molecular Formula:
C21H12S4
Molecular Weight:
392.5800
IUPAC Name:
2,2'-spirobi[benzo[f][1,3]benzodithiole]
InChI:
InChI=1S/C21H12S4/c1-2-6-14-10-18-17(9-13(14)5-1)22-21(23-18)24-19-11-15-7-3-4-8-16(15)12-20(19)25-21/h1-12H
InChI Key:
MLQRXZIYLIVLCG-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c(c2)SC2(S1)Sc1c(S2)cc2c(c1)cccc2
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.982g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.567g/mol
Monoisotopic Mass:
391.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
Related Products
© 2019 Angene International Limited. All rights Reserved.