Results for:
chemical Classification: thiolanes

4,4-dimethyltrithiolane

Compound Details

Synonymous names	4,4-dimethyl-1,2,3-trithiolane Dimethyltrithiolan 4,4-dimethyltrithiolane SCHEMBL5568119 CHEBI:206842
Microorganism:	Yes
IUPAC name	4,4-dimethyltrithiolane
SMILES	CC1(CSSS1)C
Inchi	InChI=1S/C4H8S3/c1-4(2)3-5-7-6-4/h3H2,1-2H3
Formula	C4H8S3
PubChem ID	16664240
Molweight	152.3
LogP	1.7
Atoms	7
Bonds	0
H-bond Acceptor	3
H-bond Donor	0
Chemical Classification	heterocyclic compounds thiolanes sulfur compounds
CHEBI-ID	206842
Supernatural-ID	SN0373395

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Cytophaga Sp. n/a NA Sobik et al. 2007
Method	Kingdom Species Growth Medium Applied Method Verification Prokaryota Cytophaga Sp. n/a n/a no

1,2,4-trithiolane

Compound Details

Synonymous names	1,2,4-TRITHIOLANE 289-16-7 1,2,4-Trithiacyclopentane OF568IX8QZ UNII-OF568IX8QZ SCHEMBL1039752 DTXSID70183091 CHEBI:192387 NS00124667 Q27285625
Microorganism:	Yes
IUPAC name	1,2,4-trithiolane
SMILES	C1SCSS1
Inchi	InChI=1S/C2H4S3/c1-3-2-5-4-1/h1-2H2
Formula	C2H4S3
PubChem ID	9258
Molweight	124.3
LogP	1.5
Atoms	5
Bonds	0
H-bond Acceptor	3
H-bond Donor	0
Chemical Classification	thioethers sulfides heterocyclic compounds sulfur compounds thiolanes
CHEBI-ID	192387
Supernatural-ID	SN0305354

mVOC Specific Details

Boiling Point	Degree Reference 224 median
MS-Links	MS-MS Spectrum 10004 MS-MS Spectrum 10005 MS-MS Spectrum 16678 MS-MS Spectrum 16676 MS-MS Spectrum 10006 MS-MS Spectrum 16677

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Tuber Magnatum n/a Italian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise) Gioacchini et al. 2008 Prokaryota Burkholderia Sp. bacterial interations rhizosphere and bulk soil of Carex arenaria Tyc et al. 2017 Prokaryota Chryseobacterium Sp. na na Tyc et al. 2015 Prokaryota Tsukamurella Sp. na na Tyc et al. 2015 Prokaryota Janthinobacterium Sp. na na Tyc et al. 2015

Method

Kingdom Species Growth Medium Applied Method Verification Eukaryota Tuber Magnatum n/a microextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS) no Prokaryota Burkholderia Sp. TSBA GC-Q-TOF no Prokaryota Chryseobacterium Sp. Tryptic soy broth agar GC/MS-Q-TOF no Prokaryota Tsukamurella Sp. Tryptic soy broth agar GC/MS-Q-TOF no Prokaryota Janthinobacterium Sp. Tryptic soy broth agar GC/MS-Q-TOF no

3,5-dimethyl-1,2,4-trithiolane

Mass-Spectra

Compound Details

Synonymous names	3,5-DIMETHYL-1,2,4-TRITHIOLANE 23654-92-4 1,2,4-Trithiolane, 3,5-dimethyl- 2,5-Dimethyl-1,3,4-trithiolane FEMA No. 3541 FQN903SX70 3,5-Dimethyl-1,2,4-trithiolan 3,5-dimethyl-1,2,4-trithiolane, A 3,5-dimethyl-1,2,4-trithiolane, B EINECS 245-808-6 UNII-FQN903SX70 SCHEMBL4946941 FEMA 3541 DTXSID70865108 AKOS015898779 3,5-Dimethyl-1,2,-trithiolane, isomer 1 3,5-Dimethyl-1,2,-trithiolane, isomer 2 DB-003358 NS00050717 3,5-DIMETHYL-1,2,4-TRITHIACYCLOPENTANE 3,5-DIMETHYL-1,2,4-TRITHIOLANE [FHFI] Q223016 (+/-)-3,5-DIMETHYL-1,2,4-TRITHIOLANE 3,5-DIMETHYL-1,2,4-TRITHIOLANE, (+/-)-
Microorganism:	Yes
IUPAC name	3,5-dimethyl-1,2,4-trithiolane
SMILES	CC1SC(SS1)C
Inchi	InChI=1S/C4H8S3/c1-3-5-4(2)7-6-3/h3-4H,1-2H3
Formula	C4H8S3
PubChem ID	32033
Molweight	152.3
LogP	2.4
Atoms	7
Bonds	0
H-bond Acceptor	3
H-bond Donor	0
Chemical Classification	thioethers sulfur compounds heterocyclic compounds sulfides thiolanes
Supernatural-ID	SN0124349

mVOC Specific Details

Boiling Point	Degree Reference 43 median
MS-Links	MS-MS Spectrum 170600 MS-MS Spectrum 104339 MS-MS Spectrum 104338 MS-MS Spectrum 170599 MS-MS Spectrum 170598 MS-MS Spectrum 104337

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