Home > Compound List > Compound details
117-97-5 molecular structure
click picture or here to close

[(chlorozincio)sulfanyl]benzene

ChemBase ID: 144729
Molecular Formular: C6H5ClSZn
Molecular Mass: 210.0019
Monoisotopic Mass: 207.90919084
SMILES and InChIs

SMILES:
c1ccc(cc1)S[Zn]Cl
Canonical SMILES:
Cl[Zn]Sc1ccccc1
InChI:
InChI=1S/C6H6S.ClH.Zn/c7-6-4-2-1-3-5-6;;/h1-5,7H;1H;/q;;+2/p-2
InChIKey:
HOQVHYWMYIDELD-UHFFFAOYSA-L

Cite this record

CBID:144729 http://www.chembase.cn/molecule-144729.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(chlorozincio)sulfanyl]benzene
IUPAC Traditional name
[(chlorozincio)sulfanyl]benzene
Synonyms
Zinc chlorothiophenolate
五氯苯硫酚锌盐
CAS Number
117-97-5
EC Number
204-224-1
MDL Number
MFCD03701518
PubChem SID
162238941
24879072
PubChem CID
71311120

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
550825 external link Add to cart Please log in.
Data Source Data ID
PubChem 71311120 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3434  LogD (pH = 7.4) 2.3434 
Log P 2.3434  Molar Refractivity 37.3664 cm3
Polarizability 18.531239 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
364-369 °C (dec.)(lit.) expand Show data source
RTECS
ZH0915000 expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
UN Number
1759 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
8 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
34 expand Show data source
Safety Statements
22-26-36/37/39-45 expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H314 expand Show data source
GHS Precautionary statements
P280-P305 + P351 + P338-P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 1759 8/PG 2 expand Show data source
Linear Formula
Zn(SC6Cl5)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 550825 external link
Packaging
5 g in glass bottle

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