Chemical ID: 5225006

CC(=NNC(=S)Nc1ccccc1)c2ccccn2
Chemical ID:
5225006
Name [?]:
3-phenyl-1-[1-(2-pyridyl)ethylideneamino]thiourea
SMILES [?]:
CC(=NNC(=S)Nc1ccccc1)c2ccccn2
InChi [?]:
InChI=1/C14H14N4S/c1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,11,10,12,16,17,9,13,15,18,2,8,14,5,19,7,3,4,6/E:(3,4)(7,8)/rA:19nCCNNCSNCCCCCCCCCCCN/rB:s1;w2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s2;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.88873
Area:475.56
Solvation:-2.00027
Coulombic:-29.1082
Bond Count [?]
All:20
Single:12
Double:8
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:270.354
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.34
LogP (Chemaxon):3.1

Name Annotations

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Descriptor Annotations

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