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122023-94-3

122023-94-3 | 1,4,10-Trithia-7,13-diazacyclopentadecane-2-methanol

CAS No: 122023-94-3 Catalog No: AG0016N6 MDL No:

Product Description

Catalog Number:
AG0016N6
Chemical Name:
1,4,10-Trithia-7,13-diazacyclopentadecane-2-methanol
CAS Number:
122023-94-3
Molecular Formula:
C11H24N2OS3
Molecular Weight:
296.5161
IUPAC Name:
1,4,10-trithia-7,13-diazacyclopentadec-2-ylmethanol
InChI:
InChI=1S/C11H24N2OS3/c14-9-11-10-16-7-3-12-1-5-15-6-2-13-4-8-17-11/h11-14H,1-10H2
InChI Key:
OWGUDDFGUMSSOZ-UHFFFAOYSA-N
SMILES:
OCC1SCCNCCSCCNCCSC1

Properties

Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.105g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
296.506g/mol
Monoisotopic Mass:
296.105g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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