Chemical ID: 5852060

c1ccc2c(c1)CC(=C3C(=O)NC(=S)S3)S2
Chemical ID:
5852060
Name [?]:
5-(3H-benzothiophen-2-ylidene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
c1ccc2c(c1)CC(=C3C(=O)NC(=S)S3)S2
InChi [?]:
InChI=1/C11H7NOS3/c13-10-9(16-11(14)12-10)8-5-6-3-1-2-4-7(6)15-8/h1-4H,5H2,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,4,8,9,10,13,12,11,14,16,15/rA:16nCCCCCCCCCCONCSSS/rB:s1;d2;s3;d4;d1s5;s5;s7;w8;s9;d10;s10;s12;d13;s9s13;s4s8;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7NOS3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.373
Area:424.309
Solvation:-1.23473
Coulombic:-24.0786
Bond Count [?]
All:18
Single:12
Double:6
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:265.377
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.63
LogP (Chemaxon):2.04

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Descriptor Annotations

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