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tetraethyl-7,8,9,10-tetrathia-3,5,12,14-tetraazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6)-diene-4,13-dithione
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ChemBase ID:
157004
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Molecular Formular:
C14H20N4S6
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Molecular Mass:
436.7254
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Monoisotopic Mass:
436.00122266
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SMILES and InChIs
SMILES:
CCn1c2c(n(c1=S)CC)ssssc1c2n(c(=S)n1CC)CC
Canonical SMILES:
CCn1c(=S)n(c2c1c1c(ssss2)n(c(=S)n1CC)CC)CC
InChI:
InChI=1S/C14H20N4S6/c1-5-15-9-10-12(18(8-4)14(20)16(10)6-2)22-24-23-21-11(9)17(7-3)13(15)19/h5-8H2,1-4H3
InChIKey:
UCISCPCNYYIDSW-UHFFFAOYSA-N
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Cite this record
CBID:157004 http://www.chembase.cn/molecule-157004.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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tetraethyl-7,8,9,10-tetrathia-3,5,12,14-tetraazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6)-diene-4,13-dithione
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IUPAC Traditional name
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tetraethyl-7,8,9,10-tetrathia-3,5,12,14-tetraazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6)-diene-4,13-dithione
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Synonyms
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Et4todit
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1,3,8,10-Tetraethyl-1,3,8,10-tetrahydro[1,2,3,4]tetrathiocino[5,6-d:7,8-d’]diimidazole-2,9-dithione
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Samarium(III) Ionophore II
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1,3,8,10-四乙基-1,3,8,10-四氢[1,2,3,4]四硫环[5,6-d:7,8-d']二咪唑-2,9-二硫酮
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钐(III) 离子载体 II
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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0
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H Donor
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0
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LogD (pH = 5.5)
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5.5175557
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LogD (pH = 7.4)
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5.5175557
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Log P
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5.5175557
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Molar Refractivity
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139.9506 cm3
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Polarizability
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47.689194 Å3
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Polar Surface Area
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12.96 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
15906
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Application Direct assay of Sm(III) in water samples1. General description Visit our Sensor Applications portal to learn more. Legal Information Selectophore is a trademark of Sigma-Aldrich GmbH |
PATENTS
PATENTS
PubChem Patent
Google Patent