Chemical ID: 4088196

c1cc(c(cc1Br)C=C2C(=O)NC(=S)S2)O
Chemical ID:
4088196
Name [?]:
5-[(5-bromo-2-hydroxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1cc(c(cc1Br)C=C2C(=O)NC(=S)S2)O
InChi [?]:
InChI=1/C10H6BrNO2S2/c11-6-1-2-7(13)5(3-6)4-8-9(14)12-10(15)16-8/h1-4,13H,(H,12,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,8,4,6,3,9,10,13,7,12,16,11,14,15/rA:16nCCCCCCBrCCCONCSSO/rB:s1;d2;s3;d4;d1s5;s6;s4;w8;s9;d10;s10;s12;d13;s9s13;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H6BrNO2S2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.34105
Area:421.181
Solvation:-2.18847
Coulombic:-39.1483
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:316.196
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.08
LogP (Chemaxon):3.07

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Descriptor Annotations

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