Basic information
- CAS
32884-72-3- Standard SMILES
Nc1ccccc1Sc1c[nH]c2ccccc12- InChIKey
PEQZTTVBRREURO-UHFFFAOYSA-N- Molecular formula
- C14H12N2S
- Average molar mass
- 240.33 g/mol
- Monoisotopic mass
- 240.07211956
Names & identifiers
- Preferred name
- 2-((1H-indol-3-yl)thio)aniline
- IUPAC
- 2-(1H-indol-3-ylsulfanyl)aniline
Names & synonyms
2-((1H-indol-3-yl)thio)aniline32884-72-32-(1H-indol-3-ylsulfanyl)aniline2-indol-3-ylthiophenylamineMLS001167954CHEMBL1305415SCHEMBL31397676DTXSID901327909HMS2956N07MFCD03786784SBB0388132-[(1H-Indol-3-yl)sulfanyl]aniline
Show more names
AKOS000267253SMR000641170ST50072715SR-01000014898SR-01000014898-1F1754-0012
Database identifiers
- CAS
32884-72-3- PubChem CID
- 693281
- DTXSID
DTXSID901327909- ChEMBL
CHEMBL1305415- Nikkaji
- J3.065.336J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
Solubility27.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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