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Molecule
ID:80776
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
Cl₃PS
Molecular Mass
169.397761
Exact Mass
167.85239067
Charge
0
InChI
InChI=1S/Cl3PS/c1-4(2,3)5
InChIKey
WQYSXVGEZYESBR-UHFFFAOYSA-N
Canonic Smiles
ClP(=S)(Cl)Cl
Isomeric Smiles
P(=S)(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.1659546
LogD (pH = 7.4)
2.1659546
Log P
2.1659546
Molar Refractivity
33.3579
Polarizability
13.197448
Polar Surface Area
0.0
Rotatable Bonds
0
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
Calculated Properties
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RDKit
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JChem
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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IUPAC Traditional name
•
IUPAC name
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Synonyms
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Properties
Related Proteins
Molecular Spectra
Molecule Details
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Wikipedia
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR23413
Sigma Aldrich
224294
Academic Data
Wikipedia
Thiophosphoryl_chloride
PubChem
19883
Names and Identifiers
IUPAC Traditional name
thiophosphoryl chloride
trichloro-λ
5
-phosphanethione
IUPAC name
trichloro-$l^{5}-phosphanethione
trichloro-λ
5
-phosphanethione
Synonyms
thiophosphoryl chloride
Thiophosphoryl chloride
三氯硫磷
硫代磷酰氯
Phosphorus sulfochloride
Phosphorus thiochloride
硫代氯化磷酰
Thiophosphoryl chloride
Registration numbers
PubChem CID
19883
CAS Number
3982-91-0
Chemspider ID
18729
Wikipedia Title
Thiophosphoryl_chloride
MDL Number
MFCD00011504
PubChem SID
24853426
162067896
EC Number
223-622-6
Molecule Details
Wikipedia
Thiophosphoryl_chloride
Sigma Aldrich
224294
Packaging
1.4 kg in glass bottle
100, 350 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem CID
•
CAS Number
•
Chemspider ID
•
Wikipedia Title
•
MDL Number
•
PubChem SID
•
EC Number
Properties
•
Physical Property
•
Safety Information
•
Product Information
Properties
Physical Property
Flash Point
?°C
Source
Solubility
Reacts in water
Source
Soluble in benzene, Chloroform, CS
2
and CCl
4
.
Source
Density
1.67 g/cm
3
Source
1.668 g/mL at 25 °C(lit.)
Source
Apperance
Colorless liquid
Source
-35 °C (987 K)
Source
-35 °C(lit.)
Source
125 °C (1685 K)
Source
125 °C(lit.)
Source
n20/D 1.555(lit.)
Source
Safety Information
Violent hydrolysis
Source
Corrosive to metals, category 1
Skin corrosion, categories 1A,1B,1C
Serious eye damage, category 1
Product Information
98%
Source
PSCl3
Source
Source
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Source
European Hazard Symbols
Highly toxic (T+)
Source
GHS Signal Word
Danger
Source
RID/ADR
UN 1837 8/PG 2
Source
Packing Group
2
Source
German water hazard class
2
Source
Safety Statements
26
-
28
-
36/37/39
-
45
-
61
Source
GHS Hazard statements
H302
-
H314
-
H330
Source
MSDS Link
Download link
Source
Risk Statements
22
-
26
-
34
-
52/53
Source
GHS Precautionary statements
P260
-
P280
-
P284
-
P305+P351+P338
-
P310
Source
Hazard Class
8
Source
Personal Protective Equipment
Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Source
RTECS
XN2930000
Source
UN Number
1837
Source
Melting Point
Boiling Point
Refractive Index
Main Hazard
GHS Pictograms
Purity
Linear Formula