Chemical ID: 4175226

CCCCOc1ccc(cc1)CSCCN
Chemical ID:
4175226
Name [?]:
2-[(4-butoxyphenyl)methylsulfanyl]ethanamine
SMILES [?]:
CCCCOc1ccc(cc1)CSCCN
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H21NOS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.35056
Area:472.994
Solvation:-2.47428
Coulombic:-22.5414
Bond Count [?]
All:16
Single:13
Double:3
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:239.378
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:3.18
LogP (Chemaxon):2.68

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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