Chemical ID: 5070467

CCSc1ccc(cc1)C(C)N
Chemical ID:
5070467
Name [?]:
1-(4-ethylsulfanylphenyl)ethanamine
SMILES [?]:
CCSc1ccc(cc1)C(C)N
InChi [?]:
InChI=1/C10H15NS/c1-3-12-10-6-4-9(5-7-10)8(2)11/h4-8H,3,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,6,8,5,9,10,7,4,12,3/E:(4,5)(6,7)/rA:12cCCSCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15NS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:8.11544
Area:365.952
Solvation:-1.03337
Coulombic:-14.8541
Bond Count [?]
All:12
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:181.299
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.77
LogP (Chemaxon):2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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