CAS 6573-11-1 1,4,7-Trithiacyclononane - Materials / Alfa Chemistry

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1,4,7-Trithiacyclononane

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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

Exact Mass

180.010114g/mol

Formal Charge

Hazard Statements

Heavy Atom Count

Monoisotopic Mass

180.010114g/mol

NSC Number

650798

Rotatable Bond Count

Safety Description

26-36

Supplemental Hazard Statements

H315-H319-H335

XLogP3

1.9

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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