Chemical ID: 6426413

CC(C#N)(c1cccs1)Nc2ccccc2
Chemical ID:
6426413
Name [?]:
2-anilino-2-(2-thienyl)propanenitrile
SMILES [?]:
CC(C#N)(c1cccs1)Nc2ccccc2
InChi [?]:
InChI=1/C13H12N2S/c1-13(10-14,12-8-5-9-16-12)15-11-6-3-2-4-7-11/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,7,12,16,6,8,3,11,5,2,4,10,9/E:(3,4)(6,7)/rA:16cCCCNCCCCSNCCCCCC/rB:s1;s2;t3;s2;d5;s6;d7;s5s8;s2;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.15224
Area:394.36
Solvation:-1.70677
Coulombic:-18.3083
Bond Count [?]
All:17
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:228.314
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.31
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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