Chemical ID: 7366691

CCN1c2ccccc2C(=NNC(=S)N)C1=O
Chemical ID:
7366691
Name [?]:
(1-ethyl-2-oxo-indolin-3-ylidene)aminothiourea
SMILES [?]:
CCN1c2ccccc2C(=NNC(=S)N)C1=O
InChi [?]:
InChI=1/C11H12N4OS/c1-2-15-8-6-4-3-5-7(8)9(10(15)16)13-14-11(12)17/h3-6H,2H2,1H3,(H3,12,14,17)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,9,4,10,16,13,15,11,12,3,17,14/rA:17nCCNCCCCCCCNNCSNCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s13;s3s10;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N4OS
All Atoms:29
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:9.2052
Area:432.541
Solvation:-1.60833
Coulombic:-46.6071
Bond Count [?]
All:18
Single:12
Double:6
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:248.305
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.77
LogP (Chemaxon):1.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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