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88194-17-6 | 1,4,7-Thiadiazonine, octahydro-
CAS No: 88194-17-6 Catalog No: AG004C5O MDL No:
Product Description
Catalog Number:
AG004C5O
Chemical Name:
1,4,7-Thiadiazonine, octahydro-
CAS Number:
88194-17-6
Molecular Formula:
C6H14N2S
Molecular Weight:
146.2538
IUPAC Name:
1,4,7-thiadiazonane
InChI:
InChI=1S/C6H14N2S/c1-2-8-4-6-9-5-3-7-1/h7-8H,1-6H2
InChI Key:
CIBAIKDMTBNPNQ-UHFFFAOYSA-N
SMILES:
S1CCNCCNCC1
Properties
Complexity:
60.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.088g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
146.252g/mol
Monoisotopic Mass:
146.088g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Intramolecular cyclization of 4,7-bis(2-bromoacetyl)-1-thia-4,7-diazacyclononane. | Acta crystallographica. Section C, Crystal structure communications 20040101 |
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