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Isobutyl Chlorosulfite

CAT: 0572-TRC-I780170-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I780170-1GSize:1 g
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CAS Number
13291-52-6
Hazard Statement
No Data Available
Smiles
CC(C)COS(=O)Cl
Molecular Formula
C4 H9 Cl O2 S
Molecular Weight
156.631
InChI
InChI=1S/C4H9ClO2S/c1-4(2)3-7-8(5)6/h4H,3H2,1-2H3
Additionnal Information
IUPAC name: 1-chlorosulfinyloxy-2-methylpropane
Shipping Conditions
Room Temperature

Chemical Information

Isobutyl Chlorosulfite
CAS Number13291-52-6
PubChem CID23262580
IUPAC Name1-chlorosulfinyloxy-2-methylpropane
Molecular FormulaC4H9ClO2S
Molecular Weight156.63
XLogP2.2
Topological Polar Surface Area45.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity84
SMILES
CC(C)COS(=O)Cl
InChI
InChI=1S/C4H9ClO2S/c1-4(2)3-7-8(5)6/h4H,3H2,1-2H3
InChIKey
UXNGQLHHMONQAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isobutyl Chlorosulfite
CAS: 13291-52-6
CID: 23262580
Formula: C4H9ClO2S
MW: 156.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight156.63
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass156.0011784
Monoisotopic Mass156.0011784
Topological Polar Surface Area45.5 Ų
Heavy Atom Count8
Formal Charge0
Complexity84.1
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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