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89358-07-6 | 4-Penten-2-ol, 2-methyl-1-(methylthio)-
CAS No: 89358-07-6 Catalog No: AG003Z7N MDL No:
Product Description
Catalog Number:
AG003Z7N
Chemical Name:
4-Penten-2-ol, 2-methyl-1-(methylthio)-
CAS Number:
89358-07-6
Molecular Formula:
C7H14OS
Molecular Weight:
146.2505
IUPAC Name:
2-methyl-1-methylsulfanylpent-4-en-2-ol
InChI:
InChI=1S/C7H14OS/c1-4-5-7(2,8)6-9-3/h4,8H,1,5-6H2,2-3H3
InChI Key:
HECXYCFCJJDAKA-UHFFFAOYSA-N
SMILES:
CSCC(CC=C)(O)C
Properties
Complexity:
92.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.077g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.248g/mol
Monoisotopic Mass:
146.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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