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Isopropyl Methyl Sulfide

CAT: 0024-sc-487370Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-487370Size:25 g
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CAS Number
1551-21-9

Chemical Information

Isopropyl Methyl Sulfide
CAS Number1551-21-9
PubChem CID15246
IUPAC Name2-methylsulfanylpropane
Molecular FormulaC4H10S
Molecular Weight90.19
XLogP1.7
Topological Polar Surface Area25.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity17
SMILES
CC(C)SC
InChI
InChI=1S/C4H10S/c1-4(2)5-3/h4H,1-3H3
InChIKey
ROSSIHMZZJOVOU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isopropyl Methyl Sulfide
CAS: 1551-21-9
CID: 15246
Formula: C4H10S
MW: 90.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight90.19
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass90.05032149
Monoisotopic Mass90.05032149
Topological Polar Surface Area25.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity17.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes