200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 125847-45-2
125847-45-2 | Benzo[b]naphtho[2,1-d]thiophene-1,2-diol, 1,2-dihydro-, trans- (9CI)
CAS No: 125847-45-2 Catalog No: AG000OUN MDL No:
Product Description
Catalog Number:
AG000OUN
Chemical Name:
Benzo[b]naphtho[2,1-d]thiophene-1,2-diol, 1,2-dihydro-, trans- (9CI)
CAS Number:
125847-45-2
Molecular Formula:
C16H12O2S
Molecular Weight:
268.3303
IUPAC Name:
(1S,2S)-1,2-dihydronaphtho[1,2-b][1]benzothiole-1,2-diol
InChI:
InChI=1S/C16H12O2S/c17-12-8-6-9-5-7-11-10-3-1-2-4-13(10)19-16(11)14(9)15(12)18/h1-8,12,15,17-18H/t12-,15+/m0/s1
InChI Key:
BYFVXOICIXESGI-SWLSCSKDSA-N
SMILES:
O[C@@H]1C=Cc2c([C@H]1O)c1sc3c(c1cc2)cccc3
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
268.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.33g/mol
Monoisotopic Mass:
268.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.7A^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.