loading...| Preferred Name |
phenyl isothiocyanate |
|
| Synonyms |
Phenyl mustard oil Benzene-1-isothiocyanate Phenylsenfoel Isothiocyanic acid phenyl ester PITC isothiocyanatobenzene |
|
| Definitions |
An isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_85103 |
|
| alternative term |
Phenyl mustard oil Benzene-1-isothiocyanate Phenylsenfoel Isothiocyanic acid phenyl ester PITC isothiocyanatobenzene |
|
| bearer of | ||
| charge |
0 |
|
| database_cross_reference |
PMID:28295200 PMID:24852536 Reaxys:471392 CAS:103-72-0 PMID:22974327 PMID:24628280 Wikipedia:Phenyl_isothiocyanate PMID:25532938 |
|
| definition |
An isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation. |
|
| formula |
C7H5NS |
|
| has_exact_synonym |
isothiocyanatobenzene |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Phenyl mustard oil Benzene-1-isothiocyanate Phenylsenfoel Isothiocyanic acid phenyl ester PITC |
|
| id |
CHEBI:85103 |
|
| in_subset | ||
| inchi |
InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H |
|
| inchikey |
QKFJKGMPGYROCL-UHFFFAOYSA-N |
|
| label |
phenyl isothiocyanate |
|
| mass |
135.18600 |
|
| monoisotopicmass |
135.01427 |
|
| notation |
CHEBI:85103 |
|
| prefLabel |
phenyl isothiocyanate |
|
| RO_0000087 | ||
| smiles |
S=C=Nc1ccccc1 |
|
| subClassOf |