200,000+ products from a single source!
sales@angenechem.com
2088-98-4 | Spiro[1,3-dithiolane-2,2'(4'aH)-naphthalene]-4'a-carboxylic acid, 3',4',5',6',7',8'-hexahydro-, ethyl ester
CAS No: 2088-98-4 Catalog No: AG002JWQ MDL No:
Product Description
Catalog Number:
AG002JWQ
Chemical Name:
Spiro[1,3-dithiolane-2,2'(4'aH)-naphthalene]-4'a-carboxylic acid, 3',4',5',6',7',8'-hexahydro-, ethyl ester
CAS Number:
2088-98-4
Molecular Formula:
C15H22O2S2
Molecular Weight:
298.4640
IUPAC Name:
ethyl spiro[1,2,3,4,5,6-hexahydronaphthalene-7,2'-1,3-dithiolane]-4a-carboxylate
InChI:
InChI=1S/C15H22O2S2/c1-2-17-13(16)14-6-4-3-5-12(14)11-15(8-7-14)18-9-10-19-15/h11H,2-10H2,1H3
InChI Key:
OXISAMHLDQDOTK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C12CCCCC2=CC2(CC1)SCCS2
NSC Number:
148965
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.459g/mol
Monoisotopic Mass:
298.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.