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Chemical ID: 4541834

Chemical ID:

4541834

Name [?]:

4-(2,4-dimethoxyphenyl)-2-methyl-thiazole

SMILES [?]:

Cc1nc(cs1)c2ccc(cc2OC)OC

InChi [?]:

InChI=1/C12H13NO2S/c1-8-13-11(7-16-8)10-5-4-9(14-2)6-12(10)15-3/h4-7H,1-3H3

InChi Info:

AuxInfo=1/0/N:1,16,14,9,8,11,5,2,10,7,4,12,3,15,13,6/rA:16nCCNCCSCCCCCCOCOC/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s9;d10;d7s11;s12;s13;s10;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₃NO₂S
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	0

ZAP Information [?]

Total:	6.0926
Area:	410.278
Solvation:	-4.16435
Coulombic:	-18.5391

Bond Count [?]

All:	17
Single:	12
Double:	5
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	235.303
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.55
LogP (Chemaxon):	2.26

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