Chemical ID: 7197085

Cc1ccc(cc1)c2c(cc(s2)C(=O)[O-])C
Chemical ID:
7197085
Name [?]:
4-methyl-5-(p-tolyl)thiophene-2-carboxylate
SMILES [?]:
Cc1ccc(cc1)c2c(cc(s2)C(=O)[O-])C
InChi [?]:
InChI=1/C13H12O2S/c1-8-3-5-10(6-4-8)12-9(2)7-11(16-12)13(14)15/h3-7H,1-2H3,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,16,3,7,4,6,10,2,9,5,11,8,13,14,15,12/E:(3,4)(5,6)(14,15)/rA:16nCCCCCCCCCCCSCOO-C/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s8s11;s11;d13;s13;s9;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11O2S-
All Atoms:27
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-33.2697
Area:410.602
Solvation:-43.5347
Coulombic:-2.84188
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:231.291
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.29
LogP (Chemaxon):3.34

Name Annotations

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Descriptor Annotations

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