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 name1,4-dioxido-1,2,4,5-tetrazine-1,4-diium-3,6-diamine
SMILESC1(=N[N+](=C(N=[N+]1[O-])N)[O-])N
InchiInChI=1S/C2H4N6O2/c3-1-5-8(10)2(4)6-7(1)9/h(H2,3,5)(H2,4,6)
FormulaC2H4N6O2
PubChem ID135443984
Molweight144.09
LogP-2.9
Atoms10
Bonds0
H-bond Acceptor6
H-bond Donor2
Chemical Classificationamines azines heterocyclic compounds nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


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 namepyrimidine
SMILESC1=CN=CN=C1
InchiInChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
FormulaC4H4N2
PubChem ID9260
Molweight80.09
LogP-0.4
Atoms6
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds azines nitrogen compounds heterocyclic compounds
CHEBI-ID16898
Supernatural-IDSN0059910

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStaphylococcus AureusNANAZhu et al. 2010
ProkaryotaStreptococcus PneumoniaeNANAKaeslin et al. 2021
ProkaryotaIgnatzschineria Indicapig (Sus scrofa domesticus) carcassCernosek et al. 2020
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus AureusTSBSESI-MSno
ProkaryotaStreptococcus PneumoniaeBHISESI-MSno
ProkaryotaIgnatzschineria IndicaNutrient AgarSPME-GC-MSno


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 nameS-(3,5-dioxo-2H-1,2,4-triazin-6-yl) benzenecarbothioate
SMILESC1=CC=C(C=C1)C(=O)SC2=NNC(=O)NC2=O
InchiInChI=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)
FormulaC10H7N3O3S
PubChem ID273249
Molweight249.25
LogP1.5
Atoms17
Bonds3
H-bond Acceptor5
H-bond Donor2
Chemical Classificationsulfur compounds carbamides nitrogen compounds sulfides amides azines thioethers

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno