2252631
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2
5.4641
2.551
3.0122
2.923
4.7723
4.1337
3.732
3.232
3.732
3.051
2.6443
4.5411
4.232
4.0291
2.866
4.5981
3.2201
4.9997
4.5981
2.866
3.732
2.0277
5.1307
4.5965
5.135
5.3097
5.5366
4.6897
2.3291
3.732
-2.4244
-4.4244
2.7031
4.4244
-0.8366
1.3758
3.0395
-1.4244
0.1145
-2.4244
1.837
0.9235
-0.8366
0.1145
2.045
-2.9244
-2.9244
3.4462
3.5395
-3.9244
-3.9244
-4.4244
0.8587
-1.0282
0.6161
-2.6144
3.0025
3.8495
4.0764
-4.2344
-5.0444
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
514
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
0
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371C072300066000000000000000000000000016240000030000000000000000001C000001E06000000000C0681D8243204830004488C02A15210008208006425180888010E0AC80C263285371A823920A4C21108AD8788C8F08E00001020000100000000204000020000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
(5E)-5-[[5-(2,5-dichlorophenyl)-2-furyl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
(5E)-5-[[5-(2,5-dichlorophenyl)-2-furanyl]methylidene]-3-methyl-2-sulfanylidene-4-thiazolidinone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
(5E)-5-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
(5E)-5-[[5-[2,5-bis(chloranyl)phenyl]furan-2-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
(5E)-5-[[5-(2,5-dichlorophenyl)-2-furyl]methylene]-3-methyl-2-thioxo-thiazolidin-4-one
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C15H9Cl2NO2S2/c1-18-14(19)13(22-15(18)21)7-9-3-5-12(20-9)10-6-8(16)2-4-11(10)17/h2-7H,1H3/b13-7+
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
WDAHRNZSRAWXFB-NTUHNPAUSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
368.945176
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C15H9Cl2NO2S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
370.27346
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CN1C(=O)C(=CC2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)SC1=S
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CN1C(=O)/C(=C\C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)/SC1=S
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
90.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
368.945176
22
0
0
0
1
1
0
0
1
1