Chemical ID: 6510803

Cc1ccc(cc1C)NCc2cccs2
Chemical ID:
6510803
Name [?]:
3,4-dimethyl-N-(2-thienylmethyl)aniline
SMILES [?]:
Cc1ccc(cc1C)NCc2cccs2
InChi [?]:
InChI=1/C13H15NS/c1-10-5-6-12(8-11(10)2)14-9-13-4-3-7-15-13/h3-8,14H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,13,12,3,4,14,6,10,2,7,5,11,9,15/rA:15nCCCCCCCCNCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15NS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:9.08344
Area:414.665
Solvation:-1.28318
Coulombic:-13.9119
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:217.331
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.31
LogP (Chemaxon):3.75

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Descriptor Annotations

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