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Chemical ID: 6514879

Chemical ID:

6514879

Name [?]:

4-(4-chlorophenyl)-N-(1-methylpropylideneamino)-3H-thiazol-2-imine

SMILES [?]:

CCC(=NN=c1[nH]c(cs1)c2ccc(cc2)Cl)C

InChi [?]:

InChI=1/C13H14ClN3S/c1-3-9(2)16-17-13-15-12(8-18-13)10-4-6-11(14)7-5-10/h4-8H,3H2,1-2H3,(H,15,17)

InChi Info:

AuxInfo=1/1/N:1,18,2,12,16,13,15,9,3,11,14,8,6,17,7,4,5,10/E:(4,5)(6,7)/rA:18nCCCNNCNCCSCCCCCCClC/rB:s1;s2;w3;s4;w5;s6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s14;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₄ClN₃S
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7757
Area:	489.955
Solvation:	-1.47317
Coulombic:	-17.6977

Bond Count [?]

All:	19
Single:	13
Double:	6
Rotors:	3
Chiral:	2
Rigid Segments:	4

Chemical Properties

Molecular Weight:	279.789
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.15
LogP (Chemaxon):	3.68

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value