200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 89030-52-4
89030-52-4 | 1,3-Cyclopentanedione, 2-[(benzo[b]thien-3-ylmethyl)thio]-2-methyl-
CAS No: 89030-52-4 Catalog No: AG00434J MDL No:
Product Description
Catalog Number:
AG00434J
Chemical Name:
1,3-Cyclopentanedione, 2-[(benzo[b]thien-3-ylmethyl)thio]-2-methyl-
CAS Number:
89030-52-4
Molecular Formula:
C15H14O2S2
Molecular Weight:
290.4005
IUPAC Name:
2-(1-benzothiophen-3-ylmethylsulfanyl)-2-methylcyclopentane-1,3-dione
InChI:
InChI=1S/C15H14O2S2/c1-15(13(16)6-7-14(15)17)19-9-10-8-18-12-5-3-2-4-11(10)12/h2-5,8H,6-7,9H2,1H3
InChI Key:
HEIGIXOSFOEVNW-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)C1(C)SCc1csc2c1cccc2
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.395g/mol
Monoisotopic Mass:
290.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.