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245345-29-3 | 1,4-Dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione
CAS No: 245345-29-3 Catalog No: AG002OFU MDL No:
Product Description
Catalog Number:
AG002OFU
Chemical Name:
1,4-Dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione
CAS Number:
245345-29-3
Molecular Formula:
C10H18N2O4S
Molecular Weight:
262.3259
IUPAC Name:
1,4-dioxa-10-thia-7,13-diazacyclopentadecane-8,12-dione
InChI:
InChI=1S/C10H18N2O4S/c13-9-7-17-8-10(14)12-2-4-16-6-5-15-3-1-11-9/h1-8H2,(H,11,13)(H,12,14)
InChI Key:
QAWOMJJHKOEREA-UHFFFAOYSA-N
SMILES:
O=C1CSCC(=O)NCCOCCOCCN1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.324g/mol
Monoisotopic Mass:
262.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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