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113983-52-1 | 1,2-Dithia-5,8,11-triazacyclotrideca-4,11-diene, 3,3,13,13-tetramethyl-
CAS No: 113983-52-1 Catalog No: AG000A8J MDL No:
Product Description
Catalog Number:
AG000A8J
Chemical Name:
1,2-Dithia-5,8,11-triazacyclotrideca-4,11-diene, 3,3,13,13-tetramethyl-
CAS Number:
113983-52-1
Molecular Formula:
C12H23N3S2
Molecular Weight:
273.4611
IUPAC Name:
3,3,13,13-tetramethyl-1,2-dithia-5,8,11-triazacyclotrideca-4,11-diene
InChI:
InChI=1S/C12H23N3S2/c1-11(2)9-14-7-5-13-6-8-15-10-12(3,4)17-16-11/h9-10,13H,5-8H2,1-4H3
InChI Key:
PDLIZUUSAJLUSY-UHFFFAOYSA-N
SMILES:
CC1(C)C=NCCNCCN=CC(SS1)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.133g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.457g/mol
Monoisotopic Mass:
273.133g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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