Results for:
chemical Classification: heterocyles

4,4-dimethyltrithiolane

Compound Details

Synonymous names	SCHEMBL5568119 5,5-Dimethyl-1,2,3-trithiolane
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	152.29
LogP	2.14
Atoms	15
Bonds	15
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	Sulfides thioethers sulfur compounds heterocyles

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Cytophaga Strains n/a Sobik et al., 2007
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Cytophaga Strains n/a n/a

4,4,6,6-tetramethyl-1,2,5-trithiepane

Compound Details

Synonymous names	SCHEMBL16433206 4,4,6,6-Tetramethyl-1,2,5-trithiepane
Microorganism:	Yes
IUPAC name	4,4,6,6-tetramethyl-1,2,5-trithiepane
SMILES	CC1(CSSCC(S1)(C)C)C
Inchi	InChI=1S/C8H16S3/c1-7(2)5-9-10-6-8(3,4)11-7/h5-6H2,1-4H3
Formula	C8H16S3
PubChem ID	16664241
Molweight	208.4
LogP	2.49
Atoms	27
Bonds	27
H-bond Acceptor	0
H-bond Donor	0
Chemical Classification	Sulfides thioethers sulfur compounds heterocyles

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Cytophaga Strains n/a Sobik et al., 2007
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Cytophaga Strains n/a n/a

2-butan-2-yl-5-propan-2-ylpyrazine

Compound Details

Synonymous names	YKOVLVGOQIHYJS-UHFFFAOYSA-N 2-Isopropyl-5-sec-butylpyrazine 2-sec-Butyl-5-isopropylpyrazine CTK8J5131 HE357808 SCHEMBL17866987 KB-285951 595605-19-9 PYRAZINE, 2-(1-METHYLETHYL)-5-(1-METHYLPROPYL)- (9CI)
Microorganism:	Yes
IUPAC name	2-butan-2-yl-5-propan-2-ylpyrazine
SMILES	CCC(C)C1=NC=C(N=C1)C(C)C
Inchi	InChI=1S/C11H18N2/c1-5-9(4)11-7-12-10(6-13-11)8(2)3/h6-9H,5H2,1-4H3
Formula	C11H18N2
PubChem ID	11593530
Molweight	178.279
LogP	2.73
Atoms	31
Bonds	31
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	Pyrazines nitrogen containing compounds nitrogen compounds heterocyles

mVOC Specific Details

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Chondromyces Crocatus Cm C2 n/a Dickschat et al., 2005_6 Bacteria Chondromyces Crocatus Cm C5 n/a Dickschat et al., 2005_6 Bacteria Chondromyces Crocatus n/a Schulz and Dickschat, 2007 Bacteria Paenibacillus Polymyxa n/a Schulz and Dickschat, 2007 Bacteria Nannocystis Exedens Na E485 n/a Dickschat et al., 2007 Bacteria Nannocystis Exedens Na EB37 n/a Dickschat et al., 2007 Bacteria Nannocystis Exedens Subsp. Cinnabarina Na C29 n/a Dickschat et al., 2007

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Chondromyces Crocatus Cm C2 n/a n/a Bacteria Chondromyces Crocatus Cm C5 n/a n/a Bacteria Chondromyces Crocatus n/a n/a Bacteria Paenibacillus Polymyxa n/a n/a Bacteria Nannocystis Exedens Na E485 n/a n/a Bacteria Nannocystis Exedens Na EB37 n/a n/a Bacteria Nannocystis Exedens Subsp. Cinnabarina Na C29 n/a n/a

Compound Details

Synonymous names	UHVOUUJPLVBJAV-UHFFFAOYSA-N 2-Isobutyl-5-isopropylpyrazine 2-Isopropyl-5-isobutylpyrazine CTK5C7725 AK457097 HE094510 DTXSID80508099 SCHEMBL14580444 ZINC39114124 KB-284919 AKOS027412356 2-(ISOPROPYL)-5-(2-METHYLPROPYL)PYRAZINE 68290-70-0 5-(2-methylpropyl)-2-(1-methylethyl)pyrazine 2-(2-Methylpropyl)-5-(propan-2-yl)pyrazine
Microorganism:	Yes
IUPAC name
SMILES
Inchi
Formula
PubChem ID	12722503
Molweight	178.279
LogP	2.48
Atoms	31
Bonds	31
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	pyrazines nitrogen containing compounds nitrogen compounds heterocyles

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Chondromyces Crocatus n/a Schulz and Dickschat, 2007 Bacteria Paenibacillus Polymyxa n/a Schulz and Dickschat, 2007 Bacteria Nannocystis Exedens Na E485 n/a Dickschat et al., 2007 Bacteria Nannocystis Exedens Subsp. Cinnabarina Na C29 n/a Dickschat et al., 2007
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Chondromyces Crocatus n/a n/a Bacteria Paenibacillus Polymyxa n/a n/a Bacteria Nannocystis Exedens Na E485 n/a n/a Bacteria Nannocystis Exedens Subsp. Cinnabarina Na C29 n/a n/a

5-butan-2-yl-3-methoxy-2-methylpyrazine

Compound Details

Synonymous names	SCHEMBL16431745 3-Methoxy-2-methyl-5-(1-methylpropyl)pyrazine
Microorganism:	Yes
IUPAC name	5-butan-2-yl-3-methoxy-2-methylpyrazine
SMILES	CCC(C)C1=CN=C(C(=N1)OC)C
Inchi	InChI=1S/C10H16N2O/c1-5-7(2)9-6-11-8(3)10(12-9)13-4/h6-7H,5H2,1-4H3
Formula	C10H16N2O
PubChem ID	11679913
Molweight	180.251
LogP	1.93
Atoms	29
Bonds	29
H-bond Acceptor	3
H-bond Donor	0
Chemical Classification	Pyrazines Ethers nitrogen containing compounds nitrogen compounds heterocyles

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Chondromyces Crocatus n/a North Sea Dickschat et al., 2005_6 Bacteria Chondromyces Crocatus Cm C2 n/a Dickschat et al., 2005_6
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Chondromyces Crocatus VY/2-(yeast-) agar, CY-(peptone-) agar CLSA and SPME headspace/ GC-ms methods were used Bacteria Chondromyces Crocatus Cm C2 n/a n/a

5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine

Compound Details

Synonymous names	SCHEMBL17867238 2-Isopropyl-3-methoxy-5-(1-methylpropyl)pyrazine
Microorganism:	Yes
IUPAC name	5-butan-2-yl-3-methoxy-2-propan-2-ylpyrazine
SMILES	CCC(C)C1=CN=C(C(=N1)OC)C(C)C
Inchi	InChI=1S/C12H20N2O/c1-6-9(4)10-7-13-11(8(2)3)12(14-10)15-5/h7-9H,6H2,1-5H3
Formula	C12H20N2O
PubChem ID	11665628
Molweight	208.305
LogP	3.17
Atoms	35
Bonds	35
H-bond Acceptor	3
H-bond Donor	0
Chemical Classification	Pyrazines Ethers nitrogen compounds heterocyles

mVOC Specific Details

Microorganisms emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Bacteria Chondromyces Crocatus n/a North Sea Dickschat et al., 2005_6 Bacteria Chondromyces Crocatus Cm C2 n/a Dickschat et al., 2005_6
Method	Kingdom Species Growth Medium Applied Method Verification Bacteria Chondromyces Crocatus VY/2-(yeast-) agar, CY-(peptone-) agar CLSA and SPME headspace/ GC-ms methods were used Bacteria Chondromyces Crocatus Cm C2 n/a n/a