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S-sec-Butyl Phosphorothioic Dichloride

CAT: 0572-TRC-B202565-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B202565-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63525-20-2
Hazard Statement
No Data Available
Smiles
CCC(C)SP(=O)(Cl)Cl
Molecular Formula
C4 H9 Cl2 O P S
Molecular Weight
207.058
InChI
InChI=1S/C4H9Cl2OPS/c1-3-4(2)9-8(5,6)7/h4H,3H2,1-2H3
Additionnal Information
IUPAC name: 2-dichlorophosphorylsulfanylbutane
Shipping Conditions
Room Temperature

Chemical Information

S-sec-Butyl Phosphorothioic Dichloride
CAS Number63525-20-2
PubChem CID12883662
IUPAC Name2-dichlorophosphorylsulfanylbutane
Molecular FormulaC4H9Cl2OPS
Molecular Weight207.06
XLogP2.7
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity124
SMILES
CCC(C)SP(=O)(Cl)Cl
InChI
InChI=1S/C4H9Cl2OPS/c1-3-4(2)9-8(5,6)7/h4H,3H2,1-2H3
InChIKey
QABDNWZFVCAFCS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-sec-Butyl Phosphorothioic Dichloride
CAS: 63525-20-2
CID: 12883662
Formula: C4H9Cl2OPS
MW: 207.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight207.06
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass205.9488785
Monoisotopic Mass205.9488785
Topological Polar Surface Area42.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity124
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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