Results for:
PubChem ID: 77006

1-ethoxy-4-isothiocyanatobenzene

Compound Details

Synonymous names	4-Ethoxyphenyl isothiocyanate 3460-49-9 1-Ethoxy-4-isothiocyanatobenzene 4-isothiocyanatophenetol 4-ETHOXYPHENylisoTHIOCYANATE p-Ethoxyphenyl isothiocyanate 1-ethoxy-4-isothiocyanato-benzene Benzene, 1-ethoxy-4-isothiocyanato- MFCD00041096 EINECS 222-410-0 NSC108217 4-Isothiocyanatophenetole p-ethoxyphenylisothiocyanate SCHEMBL631317 Phenylisothiocyanate, 4-ethoxy 1-isothiocyanato-4-ethoxybenzene DTXSID00188175 Ethyl 4-isothiocyanatophenyl ether HMS1786H11 1-Ethoxy-4-isothiocyanatobenzene # STK315328 AKOS000212245 MCULE-1652582968 NSC 108217 NSC-108217 PS-10282 SY061716 DB-048663 NS00029695 4-ISOQUINOLINECARBOXYLICACID,ETHYLESTER EN300-16935 E79198 J-802136 F2121-0326 InChI=1/C9H9NOS/c1-2-11-9-5-3-8(4-6-9)10-7-12/h3-6H,2H2,1H
Microorganism:	Yes
IUPAC name	1-ethoxy-4-isothiocyanatobenzene
SMILES	CCOC1=CC=C(C=C1)N=C=S
Inchi	InChI=1S/C9H9NOS/c1-2-11-9-5-3-8(4-6-9)10-7-12/h3-6H,2H2,1H3
Formula	C9H9NOS
PubChem ID	77006
Molweight	179.24
LogP	3.9
Atoms	12
Bonds	3
H-bond Acceptor	3
H-bond Donor	0
Chemical Classification	aromatic compounds sulfur compounds ethers nitrogen compounds benzenoids isothiocyanates

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