200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 127053-28-5
127053-28-5 | 1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-7a-(phenylthio)-, (S)- (9CI)
CAS No: 127053-28-5 Catalog No: AG000WMX MDL No:
Product Description
Catalog Number:
AG000WMX
Chemical Name:
1H-Indene-1,5(6H)-dione, 2,3,7,7a-tetrahydro-7a-(phenylthio)-, (S)- (9CI)
CAS Number:
127053-28-5
Molecular Formula:
C15H14O2S
Molecular Weight:
258.3355
IUPAC Name:
7a-phenylsulfanyl-2,3,6,7-tetrahydroindene-1,5-dione
InChI:
InChI=1S/C15H14O2S/c16-12-8-9-15(11(10-12)6-7-14(15)17)18-13-4-2-1-3-5-13/h1-5,10H,6-9H2
InChI Key:
PIZJMHDVFAXVMB-UHFFFAOYSA-N
SMILES:
O=C1CC[C@@]2(C(=C1)CCC2=O)Sc1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.071g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.335g/mol
Monoisotopic Mass:
258.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.