200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116196-78-2
116196-78-2 | 9H-Thioxanthen-9-ol, 9-(tetrahydro-2H-thiopyran-4-yl)-
CAS No: 116196-78-2 Catalog No: AG000BVV MDL No:
Product Description
Catalog Number:
AG000BVV
Chemical Name:
9H-Thioxanthen-9-ol, 9-(tetrahydro-2H-thiopyran-4-yl)-
CAS Number:
116196-78-2
Molecular Formula:
C18H18OS2
Molecular Weight:
314.4649
IUPAC Name:
9-(thian-4-yl)thioxanthen-9-ol
InChI:
InChI=1S/C18H18OS2/c19-18(13-9-11-20-12-10-13)14-5-1-3-7-16(14)21-17-8-4-2-6-15(17)18/h1-8,13,19H,9-12H2
InChI Key:
QWSUTCANMJIWBC-UHFFFAOYSA-N
SMILES:
OC1(C2CCSCC2)c2ccccc2Sc2c1cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.461g/mol
Monoisotopic Mass:
314.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.