Molfinder
Home
Support
About Us
Data Source
Statistics
Blogs
Molecule
ID:134489
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₁₂H₂₄S₆
Molecular Mass
360.70896
Exact Mass
360.02022677
Charge
0
InChI
InChI=1S/C12H24S6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13-1/h1-12H2
InChIKey
HELCSRZMDRYPIJ-UHFFFAOYSA-N
Canonic Smiles
S1CCSCCSCCSCCSCCSCC1
Isomeric Smiles
C1CSCCSCCSCCSCCSCCS1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.1961021
LogD (pH = 7.4)
3.1961021
Log P
3.1961021
Molar Refractivity
103.9746
Polarizability
40.477245
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...
Quote
Download
Navigation
General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Commercial Catalog
•
Academic Data
Names and Identifiers
•
Synonyms
•
IUPAC name
•
IUPAC Traditional name
Registration numbers
Properties
•
Safety Information
•
Physical Property
•
Product Information
Related Proteins
Molecular Spectra
Molecule Details
•
Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
52917
281271
Academic Data
PubChem
325971
Names and Identifiers
Synonyms
六硫环辛烷
1,4,7,10,13,16-Hexathiacyclooctadecane
18-Ane-S6
IUPAC name
1,4,7,10,13,16-hexathiacyclooctadecane
IUPAC Traditional name
1,4,7,10,13,16-hexathiacyclooctadecane
Registration numbers
MDL Number
MFCD00010832
Beilstein Number
143957
PubChem SID
24877656
162228765
CAS Number
296-41-3
PubChem CID
325971
Properties
Safety Information
GHS Signal Word
Warning
Source
European Hazard Symbols
Irritant (Xi)
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
Safety Statements
26
-
37/39
Source
MSDS Link
Download link
Source
Download link
Source
Risk Statements
36/37/38
Source
German water hazard class
3
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
Physical Property
Melting Point
92-94 °C(lit.)
Source
92-96 °C
Source
Product Information
Empirical Formula (Hill Notation)
C12H24S6
Source
Purity
≥97.0% (S)
Source
Molecule Details
Sigma Aldrich
52917
Other Notes
Crown-compound forming complexes with transition metal ions1,2
281271
Packaging
250 mg in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
MDL Number
•
Beilstein Number
•
PubChem SID
•
CAS Number
•
PubChem CID