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1,4,7-Trithiacyclononane

Catalog Number
ACM6573111
CAS Number
6573-11-1
Product Name
1,4,7-Trithiacyclononane
Structure
Category
Macrocycles; Supramolecular Host Materials
Synonyms
1,4,7-TRITHIACYCLONONANE;TRIETHYLENE TRISULFIDE;[9]aneS3;Hexahydro-1,4,7-trithionin;1,4,7-Trithiacyclononane,Triethylene trisulfide;1,4,7-Trithiacyclononane 97%
IUPAC Name
1,4,7-trithionane
Molecular Weight
180.4g/mol
Molecular Formula
C6H12S3
Canonical SMILES
C1CSCCSCCS1
InChI
InChI=1S/C6H12S3/c1-2-8-5-6-9-4-3-7-1/h1-6H2
InChI Key
PQNPKQVPJAHPSB-UHFFFAOYSA-N
Melting Point
78-81°C(lit.)
Complexity
45.1
Covalently-Bonded Unit Count
1
Exact Mass
180.010114g/mol
Formal Charge
0
Hazard Statements
Xi
Heavy Atom Count
9
Monoisotopic Mass
180.010114g/mol
NSC Number
650798
Rotatable Bond Count
0
Safety Description
26-36
Supplemental Hazard Statements
H315-H319-H335
XLogP3
1.9
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