Basic information
- CAS
16078-95-8- Standard SMILES
Sc1ccccc1Nc1ccccc1- InChIKey
HVYMDMWEXMVXDA-UHFFFAOYSA-N- Molecular formula
- C12H11NS
- Average molar mass
- 201.29 g/mol
- Monoisotopic mass
- 201.06122035
Names & identifiers
- Preferred name
- 2-(Phenylamino)benzenethiol
- IUPAC
- 2-anilinobenzenethiol
- English name
- 2-(Phenylamino)benzenethiol
- Molecular formula
- C12H11NS
- Molecular weight
- 201.29
Names & synonyms
2-(Phenylamino)benzenethiol2-Anilinobenzenethiol16078-95-8Benzenethiol, 2-(phenylamino)-Benzenethiol, o-anilino-2-Aninyl Thiophenolo-mercaptodiphenylamine2-Anilinobenzenethiol #2-Anilinobenzene-1-thiolSCHEMBL7782799SCHEMBL7782803DTXSID10345979
Show more names
Methylene Blue Impurity 102-(Phenylamino)benzene-1-thiol
Database identifiers
- CAS
16078-95-8- PubChem CID
- 608482
- DTXSID
DTXSID10345979- Nikkaji
- J99.653J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Melting point
- 35 · 35-37 °C
- Boiling point
- 174 · 174-175 °C(Press: 8 Torr)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 6.93 · 6.93±0.43(Predicted)
Chemistry & industry
Suppliers11 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
1 records
Compound notes
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