Chemical ID: 4119495

Cc1cc(nc(n1)SCC(=O)O)C
Chemical ID:
4119495
Name [?]:
2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetic acid
SMILES [?]:
Cc1cc(nc(n1)SCC(=O)O)C
InChi [?]:
InChI=1/C8H10N2O2S/c1-5-3-6(2)10-8(9-5)13-4-7(11)12/h3H,4H2,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,13,3,9,2,4,10,6,7,5,11,12,8/E:(1,2)(5,6)(9,10)(11,12)/rA:13nCCCCNCNSCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10N2O2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.8168
Area:372.195
Solvation:-2.48809
Coulombic:-36.2963
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:198.243
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.31
LogP (Chemaxon):-0.43

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