Chemical ID: 3966527

CC(=Cc1ccccc1)C=C2C(=O)N(C(=S)S2)CC(=O)O
Chemical ID:
3966527
Name [?]:
2-[5-(2-methyl-3-phenyl-prop-2-enylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
SMILES [?]:
CC(=Cc1ccccc1)C=C2C(=O)N(C(=S)S2)CC(=O)O
InChi [?]:
InChI=1/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,5,9,3,10,18,2,4,11,19,12,15,14,20,21,13,16,17/E:(3,4)(5,6)(17,18)/rA:21nCCCCCCCCCCCCONCSSCCOO/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s2;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13NO3S2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.53614
Area:494.969
Solvation:-2.8381
Coulombic:-46.3618
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:319.401
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.05
LogP (Chemaxon):3.03

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