Basic information
- CAS
6245-47-2- Standard SMILES
NCCS(=O)(=O)c1ccc(N)cc1- InChIKey
UXSCNZAJAXNSBW-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2S
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.0619488
Names & identifiers
- Preferred name
- 4-[(2-Aminoethyl)sulfonyl]aniline
- IUPAC
- 4-(2-aminoethylsulfonyl)aniline
Names & synonyms
6245-47-24-[(2-aminoethyl)sulfonyl]anilineNSC85739SCHEMBL10702964DTXSID20292824NSC-857394-(2-AMINOETHANESULFONYL)ANILINE
Database identifiers
- CAS
6245-47-2- PubChem CID
- 257588
- DTXSID
DTXSID20292824
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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