200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 122011-97-6
122011-97-6 | 1-Oxa-7,10,13-trithia-4,16-diazacyclooctadecane (9CI)
CAS No: 122011-97-6 Catalog No: AG0016MM MDL No:
Product Description
Catalog Number:
AG0016MM
Chemical Name:
1-Oxa-7,10,13-trithia-4,16-diazacyclooctadecane (9CI)
CAS Number:
122011-97-6
Molecular Formula:
C12H26N2OS3
Molecular Weight:
310.5426
IUPAC Name:
1-oxa-7,10,13-trithia-4,16-diazacyclooctadecane
InChI:
InChI=1S/C12H26N2OS3/c1-5-15-6-2-14-4-8-17-10-12-18-11-9-16-7-3-13-1/h13-14H,1-12H2
InChI Key:
RFLUPJFIYIZCII-UHFFFAOYSA-N
SMILES:
O1CCNCCSCCSCCSCCNCC1
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
310.533g/mol
Monoisotopic Mass:
310.121g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.