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Chemical ID: 7244647

Chemical ID:

7244647

Name [?]:

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

SMILES [?]:

COc1ccc(c(c1)OC)c2nc(cs2)CCl

InChi [?]:

InChI=1/C12H12ClNO2S/c1-15-9-3-4-10(11(5-9)16-2)12-14-8(6-13)7-17-12/h3-5,7H,6H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,10,4,5,8,16,14,13,3,6,7,11,17,12,2,9,15/rA:17nCOCCCCCCOCCNCCSCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;d13;s11s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₂H₁₂ClNO₂S
All Atoms:	29
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	7.42367
Area:	447.358
Solvation:	-3.76029
Coulombic:	-20.4479

Bond Count [?]

All:	18
Single:	13
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	269.748
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.75
LogP (Chemaxon):	2.95

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