Results for:
chemical Classification: azines

1,4-dioxido-1,2,4,5-tetrazine-1,4-diium-3,6-diamine

Compound Details

Synonymous names	153757-93-8 1,2,4,5-Tetrazine-3,6-diamine, 1,4-dioxide 1-hydroxy-6-imino-4-oxido-1,2,4,5-tetrazin-4-ium-3-amine CID 588892 1,4-dioxido-1,2,4,5-tetrazine-1,4-diium-3,6-diamine SCHEMBL7196120 DTXSID80343301 STK558043 AKOS005484135 1,2,4,5-tetrazine-3,6-diamine 1,4-dioxide 3,6-diamino-1,2,4,5-tetrazine-1,4-dioxide
Microorganism:	Yes
IUPAC name	1,4-dioxido-1,2,4,5-tetrazine-1,4-diium-3,6-diamine
SMILES	C1(=N[N+](=C(N=[N+]1[O-])N)[O-])N
Inchi	InChI=1S/C2H4N6O2/c3-1-5-8(10)2(4)6-7(1)9/h(H2,3,5)(H2,4,6)
Formula	C2H4N6O2
PubChem ID	135443984
Molweight	144.09
LogP	-2.9
Atoms	10
Bonds	0
H-bond Acceptor	6
H-bond Donor	2
Chemical Classification	amines azines heterocyclic compounds nitrogen compounds

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Saccharomyces Cerevisiae malt extract broth HS-SPME with GC-MS no

Pyrimidine

Compound Details

Synonymous names	PYRIMIDINE 289-95-2 1,3-Diazine Metadiazine m-Diazine 1,3-Diazabenzene Miazine Pyrimidine base pyrimidin 1,3-Diazin CHEBI:16898 UNII-K8CXK5Q32L EINECS 206-026-0 K8CXK5Q32L NSC 89305 NSC-89305 25247-63-6 DTXSID1051228 EC 206-026-0 pyrimidine phase I NSC89305 pyrimidine phase II pyrimidine phase IV MFCD00006059 Pyrimidine dimer Pyrimidine, dimer PYRIMIDINE [MI] Epitope ID:140100 Pyrimidine, >=98.0% CHEMBL15562 AMY390 DTXCID4029850 HY-Y0519 AKOS015892547 SY021098 CS-0015301 NS00009251 P0662 EN300-80760 C00396 H10864 A819713 Q207722 W-202211 InChI=1/C4H4N2/c1-2-5-4-6-3-1/h1-4 Z2768165052 P1R
Microorganism:	Yes
IUPAC name	pyrimidine
SMILES	C1=CN=CN=C1
Inchi	InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
Formula	C4H4N2
PubChem ID	9260
Molweight	80.09
LogP	-0.4
Atoms	6
Bonds	0
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	aromatic compounds azines nitrogen compounds heterocyclic compounds
CHEBI-ID	16898
Supernatural-ID	SN0059910

mVOC Specific Details

Massbank-Links

Massbank Spectrum MSBNK-RIKEN_ReSpect-PS063101 Massbank Spectrum MSBNK-RIKEN_ReSpect-PS063102

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Staphylococcus Aureus NA NA Zhu et al. 2010 Prokaryota Streptococcus Pneumoniae NA NA Kaeslin et al. 2021 Prokaryota Ignatzschineria Indica pig (Sus scrofa domesticus) carcass Cernosek et al. 2020
Method	Kingdom Species Growth Medium Applied Method Verification Prokaryota Staphylococcus Aureus TSB SESI-MS no Prokaryota Streptococcus Pneumoniae BHI SESI-MS no Prokaryota Ignatzschineria Indica Nutrient Agar SPME-GC-MS no

S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) Benzenecarbothioate

Compound Details

Synonymous names	MLS002706792 S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate NSC118349 CHEMBL1719648 DTXSID40946993 NADNGNYULOPOGE-UHFFFAOYSA-N STK970951 AKOS002346542 MCULE-4760471751 NSC-118349 SMR001574191 AB00682022-01 1,2,4-Triazine-3,5(2H,4H)-dione, 6-benzoylthio- S-(3,5-Dihydroxy-1,2,4-triazin-6-yl) benzenecarbothioate S-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl) benzenecarbothioate #
Microorganism:	Yes
IUPAC name	S-(3,5-dioxo-2H-1,2,4-triazin-6-yl) benzenecarbothioate
SMILES	C1=CC=C(C=C1)C(=O)SC2=NNC(=O)NC2=O
Inchi	InChI=1S/C10H7N3O3S/c14-7-8(12-13-10(16)11-7)17-9(15)6-4-2-1-3-5-6/h1-5H,(H2,11,13,14,16)
Formula	C10H7N3O3S
PubChem ID	273249
Molweight	249.25
LogP	1.5
Atoms	17
Bonds	3
H-bond Acceptor	5
H-bond Donor	2
Chemical Classification	sulfur compounds carbamides nitrogen compounds sulfides amides azines thioethers

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Saccharomyces Cerevisiae NA NA Harris et al. 2021
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Saccharomyces Cerevisiae malt extract broth HS-SPME with GC-MS no