Chemical ID: 4119789

c1cc(sc1)C2NC(CS2)C(=O)O
Chemical ID:
4119789
Name [?]:
2-(2-thienyl)thiazolidine-4-carboxylic acid
SMILES [?]:
c1cc(sc1)C2NC(CS2)C(=O)O
InChi [?]:
InChI=1/C8H9NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,5,9,8,3,6,11,7,12,13,4,10/E:(10,11)/rA:13cCCCSCCNCCSCOO/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;s6s9;s8;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO2S2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:6.94402
Area:370.442
Solvation:-2.31703
Coulombic:-37.2973
Bond Count [?]
All:14
Single:11
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:215.295
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:0.59
LogP (Chemaxon):-0.28

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