Home > Compound List > Compound details
MFCD01741357 molecular structure
click picture or here to close

(pentachlorophenyl)sulfanide $l^{-2}-zincdiuide

ChemBase ID: 74286
Molecular Formular: C6Cl5SZn---
Molecular Mass: 346.7742
Monoisotopic Mass: 342.7454764
SMILES and InChIs

SMILES:
[S-]c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl.[Zn-2]
Canonical SMILES:
Clc1c([S-])c(Cl)c(c(c1Cl)Cl)Cl.[Zn-2]
InChI:
InChI=1S/C6HCl5S.Zn/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;-2/p-1
InChIKey:
TWIZJSFFGJAJPH-UHFFFAOYSA-M

Cite this record

CBID:74286 http://www.chembase.cn/molecule-74286.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(pentachlorophenyl)sulfanide $l^{-2}-zincdiuide
IUPAC Traditional name
(pentachlorophenyl)sulfanide $l^{-2}-zincdiuide
Synonyms
Zinc pentachlorothiophenate
MDL Number
MFCD01741357
PubChem SID
162039205
PubChem CID
44119121

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR0795 external link Add to cart Please log in.
Data Source Data ID
PubChem 44119121 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.8479412  H Acceptors
H Donor LogD (pH = 5.5) 3.8535013 
LogD (pH = 7.4) 3.663553  Log P 5.0866766 
Molar Refractivity 55.2541 cm3 Polarizability 23.333448 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle