Results for:
chemical Classification: thiadiazoles

1,2,3-benzothiadiazole

Compound Details

Synonymous names	1,2,3-Benzothiadiazole 273-77-8 Benzo[d][1,2,3]thiadiazole Benzothiadiazole Benzo-1,2,3-thiadiazole R3PA3EL3RP NSC-111919 Benzo[1,2,3]thiadiazole benzthiadiazole azabenzothiazole EINECS 205-989-4 NSC111919 NSC 111919 1,3-Benzothiadiazole UNII-R3PA3EL3RP SCHEMBL8615 DTXSID00181747 MFCD00047265 STL301360 AKOS000279570 MCULE-9208410961 DS-12948 CS-0155899 NS00028290 C74419 EN300-170087 A918389 Z1198148806 InChI=1/C6H4N2S/c1-2-4-6-5(3-1)7-8-9-6/h1-4
Microorganism:	No
IUPAC name	1,2,3-benzothiadiazole
SMILES	C1=CC=C2C(=C1)N=NS2
Inchi	InChI=1S/C6H4N2S/c1-2-4-6-5(3-1)7-8-9-6/h1-4H
Formula	C6H4N2S
PubChem ID	67505
Molweight	136.18
LogP	1.9
Atoms	9
Bonds	0
H-bond Acceptor	3
H-bond Donor	0
Chemical Classification	sulfur compounds benzenoids heterocyclic compounds thiadiazoles aromatic compounds nitrogen compounds

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Eukaryota Chromera Velia Culture Collection of Algae and Protozoa (CCAP) at the SAMS Limited Scottish Marine Institute (Oban, Argyll, Scotland, UK) Koteska et al. 2023
Method	Kingdom Species Growth Medium Applied Method Verification Eukaryota Chromera Velia seawater media L1 OSSA/GC-MS no

7H-triazolo[4,5-g][2,1,3]benzothiadiazole

Compound Details

Synonymous names	KECDJDRICSKUJS-UHFFFAOYSA-N AKOS001662690 MCULE-9279896363 8H-[1,2,3]Triazolo[4',5':3,4]benzo[1,2c][1,2,5]thiadiazole
Microorganism:	Yes
IUPAC name	7H-triazolo[4,5-g][2,1,3]benzothiadiazole
SMILES	C1=CC2=NSN=C2C3=NNN=C31
Inchi	InChI=1S/C6H3N5S/c1-2-4-6(10-12-9-4)5-3(1)7-11-8-5/h1-2H,(H,7,8,11)
Formula	C6H3N5S
PubChem ID	6401454
Molweight	177.19
LogP	0.9
Atoms	12
Bonds	0
H-bond Acceptor	5
H-bond Donor	1
Chemical Classification	aromatic compounds heterocyclic compounds sulfur compounds triazoles nitrogen compounds thiadiazoles

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

Thiadiazole-5-carbonitrile

Compound Details

Synonymous names	1,2,3-Thiadiazole-5-carbonitrile 57352-02-0 5-Cyano-1,2,3-thiadiazole SCHEMBL2864386 RMYKOFBFMSOHTQ-UHFFFAOYSA-N 1,2,3-Thiadiazole-5-carbonitrile # AKOS014316101
Microorganism:	Yes
IUPAC name	thiadiazole-5-carbonitrile
SMILES	C1=C(SN=N1)C#N
Inchi	InChI=1S/C3HN3S/c4-1-3-2-5-6-7-3/h2H
Formula	C3HN3S
PubChem ID	558078
Molweight	111.13
LogP	0.5
Atoms	7
Bonds	0
H-bond Acceptor	4
H-bond Donor	0
Chemical Classification	sulfur compounds heterocyclic compounds nitrogen compounds nitriles thiadiazoles

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Burkholderia Tropica n/a NA Tenorio-Salgado et al. 2013
Method	Kingdom Species Growth Medium Applied Method Verification Prokaryota Burkholderia Tropica Potato dextrose agar Headspace trapping/ GC-MS no