Home Other Building Blocks 4-mercapto-4-methyl-2-pentanol

4-mercapto-4-methyl-2-pentanol

CAS No.:
31539-84-1
Catalog Number:
AG00CJ08
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00CJ08
Chemical Name:
4-mercapto-4-methyl-2-pentanol
CAS Number:
31539-84-1
MDL Number:
MFCD10688294
IUPAC Name:
4-methyl-4-sulfanylpentan-2-ol
InChI:
InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
InChI Key:
FDBQLLMYSACLPB-UHFFFAOYSA-N
FEMA Number:
4158
Properties
Complexity:
70.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.077g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
134.237g/mol
Monoisotopic Mass:
134.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
21.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Aroma composition changes in early season grapefruit juice produced from thermal concentration. Journal of agricultural and food chemistry 20020213
Properties