Chemical ID: 7113697

Cc1ccsc1CNc2ccc(cc2)I
Chemical ID:
7113697
Name [?]:
4-iodo-N-[(3-methyl-2-thienyl)methyl]aniline
SMILES [?]:
Cc1ccsc1CNc2ccc(cc2)I
InChi [?]:
InChI=1/C12H12INS/c1-9-6-7-15-12(9)8-14-11-4-2-10(13)3-5-11/h2-7,14H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,13,10,14,3,4,7,2,12,9,6,15,8,5/E:(2,3)(4,5)/rA:15nCCCCSCCNCCCCCCI/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12INS
All Atoms:27
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.81298
Area:438.681
Solvation:-1.15406
Coulombic:-13.9728
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:329.201
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.65
LogP (Chemaxon):4.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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