Chemical ID: 6715313

c1ccc2c(c1)nc(s2)SCCC(=O)[O-]
Chemical ID:
6715313
Name [?]:
3-benzothiazol-2-ylsulfanylpropanoate
SMILES [?]:
c1ccc2c(c1)nc(s2)SCCC(=O)[O-]
InChi [?]:
InChI=1/C10H9NO2S2/c12-9(13)5-6-14-10-11-7-3-1-2-4-8(7)15-10/h1-4H,5-6H2,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,11,5,4,13,8,7,14,15,10,9/E:(12,13)/rA:15nCCCCCCNCSSCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8NO2S2-
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-33.0169
Area:413.035
Solvation:-43.3428
Coulombic:-6.58372
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:238.308
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.3
LogP (Chemaxon):3.35

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Descriptor Annotations

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