Chemical ID: 7113756

Cc1ccc(cc1)NCc2ccc(cc2)SC
Chemical ID:
7113756
Name [?]:
4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
SMILES [?]:
Cc1ccc(cc1)NCc2ccc(cc2)SC
InChi [?]:
InChI=1/C15H17NS/c1-12-3-7-14(8-4-12)16-11-13-5-9-15(17-2)10-6-13/h3-10,16H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,3,7,11,15,4,6,12,14,9,2,10,5,13,8,16/E:(3,4)(5,6)(7,8)(9,10)/rA:17nCCCCCCCNCCCCCCCSC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17NS
All Atoms:34
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.95136
Area:455.16
Solvation:-1.42763
Coulombic:-15.0444
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:243.368
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.56
LogP (Chemaxon):4.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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