6-(Phenylsulfanyl)-3-pyridinamine
Basic information
- CAS
103983-07-9- Standard SMILES
Nc1ccc(Sc2ccccc2)nc1- InChIKey
UDPFENQZHIOLIT-UHFFFAOYSA-N- Molecular formula
- C11H10N2S
- Average molar mass
- 202.28 g/mol
- Monoisotopic mass
- 202.0564695
Names & identifiers
- Preferred name
- 6-(Phenylsulfanyl)-3-pyridinamine
- IUPAC
- 6-phenylsulfanylpyridin-3-amine
- English name
- 6-(Phenylsulfanyl)-3-pyridinamine
- Molecular formula
- C11H10N2S
- Molecular weight
- 202.28
Names & synonyms
6-(phenylsulfanyl)-3-pyridinamine103983-07-9DTXSID50351413RefChem:306910DTXCID403024796-(phenylthio)pyridin-3-amine6-phenylsulfanylpyridin-3-amine6-(phenylsulfanyl)pyridin-3-amineMFCD03230019Maybridge3_005047MLS001143859SCHEMBL8866408
Show more names
6-(Phenylthio)-3-pyridinamine3-Pyridinamine, 6-(phenylthio)-
CHEMBL1874934HMS1445F09HMS2802F146-(phenylsulfanyl)-3-pyridinylamineSTK060236AKOS000215477BE-0762CCG-247125
Database identifiers
- CAS
103983-07-9- PubChem CID
- 699576
- DTXSID
DTXSID50351413- ChEMBL
CHEMBL1874934
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 169
Experimental & physicochemical properties
Solubility>30.3 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 118 · 118~120℃
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933399990
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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