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Molecule
ID:104487
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
CCl₄S
Molecular Mass
185.8877
Exact Mass
183.84748172
Charge
0
InChI
InChI=1S/CCl4S/c2-1(3,4)6-5
InChIKey
RYFZYYUIAZYQLC-UHFFFAOYSA-N
Canonic Smiles
ClSC(Cl)(Cl)Cl
Isomeric Smiles
ClSC(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.411353
LogD (pH = 7.4)
3.411353
Log P
3.411353
Molar Refractivity
34.2099
Polarizability
13.434884
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
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IUPAC name
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IUPAC Traditional name
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Molecular Spectra
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MP Biomedicals
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
02156109
Sigma Aldrich
332895
Academic Data
Wikipedia
Perchloromethyl_mercaptan
PubChem
11666
Names and Identifiers
IUPAC name
trichloro(chlorosulfanyl)methane
Synonyms
PERCHLOROMETHYL MERCAPTAN
Trichloromethane sulfenyl chloride
Trichloromethyl sulfur chloride
Clairsit
三氯硫氯甲烷
Perchloromethyl mercaptan
Trichloromethanesulfenyl chloride
全氯甲硫醇
IUPAC Traditional name
perchloromethyl mercaptan
Registration numbers
EC Number
209-840-4
Wikipedia Title
Perchloromethyl_mercaptan
PubChem CID
11666
CAS Number
594-42-3
Chemspider ID
11176
PubChem SID
24860088
162091627
MDL Number
MFCD00037054
Molecule Details
MP Biomedicals
02156109
Purity: 96%
1 ml = approx. 1.70 g
Wikipedia
Perchloromethyl_mercaptan
Sigma Aldrich
332895
Packaging
25 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
EC Number
•
Wikipedia Title
•
PubChem CID
•
CAS Number
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Chemspider ID
•
PubChem SID
•
MDL Number
Properties
Safety Information
MSDS Link
Download link
Source
Download link
Source
NFPA704
0
3
2
Source
Risk Statements
R21 25 26 34
Source
23/24/25
-
34
-
52/53
Source
European Hazard Symbols
Toxic (T)
Source
Nature polluting (N)
Safety Statements
S25 28 36/37/39 45
Source
7/9
-
26
-
36/37/39
-
45
-
61
Source
UN Number
1670
Source
GHS Signal Word
Danger
Source
GHS Hazard statements
H301+H311
-
H314
-
H330
Source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
Packing Group
1
Source
GHS Precautionary statements
P260
-
P280
-
P284
-
P301+
P310
-
P305+P351+P338
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P310
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Source
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
RID/ADR
UN 1670 6.1/PG 1
Source
German water hazard class
3
Source
RTECS
PB0370000
Source
Hazard Class
6.1
Source
Product Information
Certificate of Analysis
Download link
Source
Purity
96%
Source
99%
Source
Linear Formula
CCl3SCl
Source
Physical Property
Density
1.70 g/ml
Source
1.72 g/cm
3
Source
1.7 g/mL at 25 °C(lit.)
Source
Apperance
Oily, yellow liquid
Source
Partition Coefficient
3.47 (estimated)
Source
Boiling Point
147-148°C
Source
146-148 °C(lit.)
Source
0.4 kPa (at 20 °C)
Source
2.02 psi ( 20 °C)
Source
disagreeable, acrid odor
Source
-44°C
Source
n20/D 1.537(lit.)
Source
6.41 (vs air)
Source
Source
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Vapor Pressure
Odor
Melting Point
Refractive Index
Vapor Density