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82055-18-3 | Propane, 2-[(methylthio)methoxy]-
CAS No: 82055-18-3 Catalog No: AG004XIC MDL No:
Product Description
Catalog Number:
AG004XIC
Chemical Name:
Propane, 2-[(methylthio)methoxy]-
CAS Number:
82055-18-3
Molecular Formula:
C5H12OS
Molecular Weight:
120.2132
IUPAC Name:
2-(methylsulfanylmethoxy)propane
InChI:
InChI=1S/C5H12OS/c1-5(2)6-4-7-3/h5H,4H2,1-3H3
InChI Key:
BQWHBNNMESOCTA-UHFFFAOYSA-N
SMILES:
CSCOC(C)C
Properties
Complexity:
37.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.061g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.21g/mol
Monoisotopic Mass:
120.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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