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82010-87-5 | 2-(3-BUTENYLTHIO)ETHANOL
CAS No: 82010-87-5 Catalog No: AG005EPH MDL No:
Product Description
Catalog Number:
AG005EPH
Chemical Name:
2-(3-BUTENYLTHIO)ETHANOL
CAS Number:
82010-87-5
Molecular Formula:
C6H12OS
Molecular Weight:
132.2239
IUPAC Name:
2-but-3-enylsulfanylethanol
InChI:
InChI=1S/C6H12OS/c1-2-3-5-8-6-4-7/h2,7H,1,3-6H2
InChI Key:
RMBYRNBOWWTERV-UHFFFAOYSA-N
SMILES:
OCCSCCC=C
EC Number:
279-882-6
Properties
Complexity:
54.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.061g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.221g/mol
Monoisotopic Mass:
132.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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