Basic information
- CAS
1493588-46-7- Standard SMILES
CCNC(CCO)CS(=O)c1cccc(C)c1- InChIKey
XWKKGYOJOQKCGU-UHFFFAOYSA-N- Molecular formula
- C13H21NO2S
- Average molar mass
- 255.38 g/mol
- Monoisotopic mass
- 255.12930009
Names & identifiers
- Preferred name
- 1-Butanol, 3-(ethylamino)-4-[(3-methylphenyl)sulfinyl]-
- IUPAC
- 3-(ethylamino)-4-(3-methylphenyl)sulfinylbutan-1-ol
Names & synonyms
DTXSID901205707AKOS0142584021-Butanol, 3-(ethylamino)-4-[(3-methylphenyl)sulfinyl]-3-(Ethylamino)-4-(3-methylbenzene-1-sulfinyl)butan-1-ol1493588-46-7
Database identifiers
- CAS
1493588-46-7- PubChem CID
- 64928331
- DTXSID
DTXSID901205707
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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