Chemical ID: 4526066

CCCSc1ccc(cc1)N
Chemical ID:
4526066
Name [?]:
4-propylsulfanylaniline
SMILES [?]:
CCCSc1ccc(cc1)N
InChi [?]:
InChI=1/C9H13NS/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,9,6,10,3,8,5,11,4/E:(3,4)(5,6)/rA:11nCCCSCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H13NS
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:7.7335
Area:347.415
Solvation:-0.951872
Coulombic:-18.8576
Bond Count [?]
All:11
Single:8
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:167.272
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.66
LogP (Chemaxon):2.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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