AG003DLZ

6573-11-1 | 1,4,7-Trithiacyclononane

AG003DLZ

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CAS Number	6573-11-1
Catalog Number	AG003DLZ(AGN-PC-0JQMZM)
Chemical Name	1,4,7-Trithiacyclononane
IUPAC Name	1,4,7-trithionane
InChI	InChI=1S/C6H12S3/c1-2-8-5-6-9-4-3-7-1/h1-6H2
InChI Key	PQNPKQVPJAHPSB-UHFFFAOYSA-N
MDL Number	MFCD00010859
Molecular Formula	C6H12S3
Molecular Weight	180.3545
NSC Number	650798
SMILES	S1CCSCCSCC1
Synonyms	1,4,7-Trithionane, 1,4,7-Trithiacyclononane, 6573-11-1, [9]aneS3, CHEBI:37418, NSC650798, 1,4,7-trithionan, Triethylene trisulfide, ACMC-2097jt, AC1Q7G1D, 9-ane-S3, [9]aneS3, SCHEMBL270617, AC1L87I4, CHEMBL1965619, CTK2F8117, DTXSID40215934, 1,4,7-Trithiacyclononane, 97%, ZINC392001, ANW-14055, MFCD00010859, AKOS015856600, FCH1115469, MCULE-3373587421, NSC 650798, NSC-650798, CC-03233, NCI60_017715, ZB012173, DB-054837, TR-033638, FT-0636183, ST51038147, C-06759, I14-19450, KST-1A9455, AR-1B7393, CID373835, T1972, 6622-07-7,

Complexity	45.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.01g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.342g/mol
Monoisotopic Mass	180.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	75.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
UN Code

Certificate of Analysis

Lot Number