Basic information
- CAS
1135-14-4- Standard SMILES
Nc1ccc(Sc2ccccc2)cc1- InChIKey
TZQVSGOOKNNDFU-UHFFFAOYSA-N- Molecular formula
- C12H11NS
- Average molar mass
- 201.29 g/mol
- Monoisotopic mass
- 201.06122053
Names & identifiers
- Preferred name
- 4-(Phenylthio)aniline
- IUPAC
- 4-phenylsulfanylaniline
- English name
- 4-Aminodiphenylsulfide
- Molecular formula
- C12H11NS
- Molecular weight
- 201.29
Names & synonyms
4-(Phenylthio)aniline1135-14-44-(phenylsulfanyl)aniline4-phenylsulfanylaniline4-aminodiphenylsulfideBenzenamine, 4-(phenylthio)-4-Aminodiphenyl thioether4-Aminodiphenyl sulfidep-(Phenylthio)anilineMFCD000940274-Phenylsulfanyl-phenylamine4-phenylthiophenylamine
Show more names
RMA03226 RS4-(PHENYLTHIO)ANILIN[4-(phenylthio)phenyl]aminePhenyl(4-aminophenyl) sulfide4-(Phenylsulphanyl)aniline, 4-Aminodiphenyl sulphide
4-(Phenylthio)phenylaminep-Aminophenyl phenyl sulfideCCRIS 3893BRN 1869503Aniline, p-(phenylthio)- (6CI,7CI,8CI)4-phenylthioanilineaminodiphenyl sulfide4-(phenylthio)phenyl
Database identifiers
- CAS
1135-14-4- PubChem CID
- 96081
- DTXSID
DTXSID10150424- ChEMBL
CHEMBL170030- EC Number
- 601-260-3
- Nikkaji
- J80.193C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
LogP2.18
Physicochemical properties
- Melting point
- 95.85 °C · 95.85°C
- Boiling point
- 379.2 · 379.2±25.0 °C(Predicted)
- Density
- 1.0917 · 1.0917 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 3.8 · 3.80±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Suppliers28 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
深圳鼎邦化学品有限公司15616500668 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
重庆福腾医药有限公司18696571988 · [email protected]
四川普西奥标物科技有限公司13540909846 13882008651 · [email protected]
Related reactions
7 records
Compound notes
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