Results for:
PubChem ID: 17696

2,4,6-trimethyl-1,3,5-trithiane

Mass-Spectra

Compound Details

Synonymous names	Trithioacetaldehyde alpha-Trithioacetaldehyde Thioacetaldehyde trimer beta-Trithioacetaldehyde alpha-Thioacetaldehyde Thioacetaldehyde cyclic trimer gamma-Thioacetaldehyde beta-Thioacetaldehyde XQVYLDFSPBXACS-UHFFFAOYSA-N K8GLL4NEZI AC1L2AHW UNII-K8GLL4NEZI AC1Q2RK8 Thioacetaldehyde beta-form [MI] 4HQ3RWP831 UNII-C6MG282Q6S component XQVYLDFSPBXACS-FPFOFBBKSA-N UNII-C6MG282Q6S component XQVYLDFSPBXACS-KXGDERBTSA-N ZINC398630 UNII-4HQ3RWP831 SCHEMBL1641407 NSC227897 1,5-Trimethyl-s-trithiane HE152492 HE038866 2,6-Trimethyl-s-trithiane A819145 s-Trithiane,4,6-trimethyl- NSC-227897 ZINC263584619 AKOS024337231 1,3,5-Trimethyl-S-trithiane 2,4,6-Trimethyl-s-trithiane 2765-04-0 EINECS 245-870-4 23769-39-3 23769-40-6 2E,6E-Trimethyl-1,3,5-trithiane 2alpha,4alpha,6beta-Trimethyl-1,3,5-trithiane 2,6-Trimethyl-1,3,5-trithiane s-Trithiane, 2,4,6-trimethyl- 1,3,5-Trimethyl-2,4,6-trithiane 2,4,6-TRIMETHYL-1,3,5-TRITHIANE 1,5-Trithiane, 2,4,6-trimethyl- beta-2,4,6-Trimethyl-1,3,5-trithiane cis-2,4,6-Trimethyl-1,3,5-trithiane cis,cis-2,4,6-Trimethyl-1,3,5-trithiane 1,3,5-Trithiane, 2,4,6-trimethyl- 1,3,5-Trithiane, 2,4,6-trimethyl, #2 1,3,5-Trithiane, 2,4,6-trimethyl, #1 (2alpha,4alpha,6alpha)-2,4,6-Trimethyl-1,3,5-trithiane (2A,4A,6A)-2,4,6-TRIMETHYL-1,3,5-TRITHIANE S-Trithiane, 2,4,6-trimethyl-, cis-2,4,cis-2,6- 1,3,5-Trithiane, 2,4,6-trimethyl-, (2alpha,4alpha,6alpha)- InChI=1/C6H12S3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H
Microorganism:	Yes
IUPAC name	2,4,6-trimethyl-1,3,5-trithiane
SMILES	CC1SC(SC(S1)C)C
Inchi	InChI=1S/C6H12S3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
Formula	C6H12S3
PubChem ID	17696
Molweight	180.34
LogP	2.39
Atoms	21
Bonds	21
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	sulfur compounds thioethers

mVOC Specific Details

MS-Links

MS-MS Spectrum 104062 MS-MS Spectrum 104063 MS-MS Spectrum 170249 MS-MS Spectrum 104061 MS-MS Spectrum 170248 MS-MS Spectrum 170247

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Clostridium Difficile outbreak 2006 UK Rees et al 2016
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Clostridium Difficile brain heart infusion GCxGC-TOF-MS yes