Results for:
chemical Classification: isothiazoles

3-[(4-nitrophenyl)methoxy]-1,2-benzothiazole 1,1-dioxide

Compound Details

Synonymous names	WZRSUFQBXRSCQD-UHFFFAOYSA-N 3-[(4-Nitrophenyl)methoxy]-1,2-benzisothiazole 1,1-dioxide 1,2-Benzisothiazole, 3-[(4-nitrophenyl)methoxy]-, 1,1-dioxide 55124-69-1 DB-262043 3-[(4-Nitrobenzyl)oxy]-1,2-benzisothiazole 1,1-dioxide #
Microorganism:	No
IUPAC name	3-[(4-nitrophenyl)methoxy]-1,2-benzothiazole 1,1-dioxide
SMILES	C1=CC=C2C(=C1)C(=NS2(=O)=O)OCC3=CC=C(C=C3)[N+](=O)[O-]
Inchi	InChI=1S/C14H10N2O5S/c17-16(18)11-7-5-10(6-8-11)9-21-14-12-3-1-2-4-13(12)22(19,20)15-14/h1-8H,9H2
Formula	C14H10N2O5S
PubChem ID	556034
Molweight	318.31
LogP	2.1
Atoms	22
Bonds	3
H-bond Acceptor	6
H-bond Donor	0
Chemical Classification	aromatic compounds benzenoids ethers heterocyclic compounds isothiazoles nitrogen compounds sulfur compounds

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Aspergillus Flavus Kate et al. 2023
Method	Kingdom Species Growth Medium Applied Method Verification Aspergillus Flavus inoculated potato samples GC-MS no

N-ethyl-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

Compound Details

Synonymous names	37572-35-3 N-Ethyl-3,5-bis(methylthio)-4-isothiazolecarboxamide 4-Isothiazolecarboxamide, N-ethyl-3,5-bis(methylthio)- DNPFXCKPTYVATJ-UHFFFAOYSA-N DB-266284 N-Ethyl-3,5-bis(methylsulfanyl)-4-isothiazolecarboxamide #
Microorganism:	No
IUPAC name	N-ethyl-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
SMILES	CCNC(=O)C1=C(SN=C1SC)SC
Inchi	InChI=1S/C8H12N2OS3/c1-4-9-6(11)5-7(12-2)10-14-8(5)13-3/h4H2,1-3H3,(H,9,11)
Formula	C8H12N2OS3
PubChem ID	619142
Molweight	248.4
LogP	2.3
Atoms	14
Bonds	4
H-bond Acceptor	5
H-bond Donor	1
Chemical Classification	amides heterocyclic compounds isothiazoles nitrogen compounds Sulfur compounds

mVOC Specific Details

Species emitting the compound	Kingdom Species Biological Function Origin/Habitat Reference Aspergillus Flavus Kate et al. 2023
Method	Kingdom Species Growth Medium Applied Method Verification Aspergillus Flavus inoculated potato samples GC-MS no