Home Other Building Blocks 2-Butanol, 3-(methylthio)-

2-Butanol, 3-(methylthio)-

CAS No.:
161528-03-6
Catalog Number:
AG001VNW
Molecular Formula:
C5H12OS
Molecular Weight:
120.2132
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Product Description
Catalog Number:
AG001VNW
Chemical Name:
2-Butanol, 3-(methylthio)-
CAS Number:
161528-03-6
Molecular Formula:
C5H12OS
Molecular Weight:
120.2132
MDL Number:
MFCD23727372
IUPAC Name:
3-methylsulfanylbutan-2-ol
InChI:
InChI=1S/C5H12OS/c1-4(6)5(2)7-3/h4-6H,1-3H3
InChI Key:
HLCVPLQEQJRBHR-UHFFFAOYSA-N
SMILES:
CSC(C(O)C)C
Properties
Complexity:
47.3  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
120.21g/mol
Monoisotopic Mass:
120.061g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties