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Chemical ID: 4256141

Chemical ID:

4256141

Name [?]:

[2-(2-pyridyl)cyclohexylidene]aminothiourea

SMILES [?]:

c1ccnc(c1)C2CCCCC2=NNC(=S)N

InChi [?]:

InChI=1/C12H16N4S/c13-12(17)16-15-11-7-2-1-5-9(11)10-6-3-4-8-14-10/h3-4,6,8-9H,1-2,5,7H2,(H3,13,16,17)

InChi Info:

AuxInfo=1/1/N:9,10,1,2,8,6,11,3,7,5,12,15,17,4,13,14,16/rA:17cCCCNCCCCCCCCNNCSN/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;w12;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₆N₄S
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	1

ZAP Information [?]

Total:	7.7579
Area:	400.075
Solvation:	-2.24397
Coulombic:	-31.307

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	3
Chiral:	1
Rigid Segments:	3

Chemical Properties

Molecular Weight:	248.348
H-Bond Donors:	3
H-Bond Acceptors:	3
XLogP:	1.86
LogP (Chemaxon):	2.65

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value