200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 2593-55-7
2593-55-7 | 1,4-Naphthalenedione, 2-methyl-3-(methylthio)-
CAS No: 2593-55-7 Catalog No: AG002R44 MDL No:
Product Description
Catalog Number:
AG002R44
Chemical Name:
1,4-Naphthalenedione, 2-methyl-3-(methylthio)-
CAS Number:
2593-55-7
Molecular Formula:
C12H10O2S
Molecular Weight:
218.2716
IUPAC Name:
2-methyl-3-methylsulfanylnaphthalene-1,4-dione
InChI:
InChI=1S/C12H10O2S/c1-7-10(13)8-5-3-4-6-9(8)11(14)12(7)15-2/h3-6H,1-2H3
InChI Key:
LQCRQSQHGKVTCR-UHFFFAOYSA-N
SMILES:
CSC1=C(C)C(=O)c2c(C1=O)cccc2
NSC Number:
66166
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.27g/mol
Monoisotopic Mass:
218.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.