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82010-93-3 | Ethanol,2-[(2-methyl-2-buten-1-yl)thio]-
CAS No: 82010-93-3 Catalog No: AG005EPF MDL No:
Product Description
Catalog Number:
AG005EPF
Chemical Name:
Ethanol,2-[(2-methyl-2-buten-1-yl)thio]-
CAS Number:
82010-93-3
Molecular Formula:
C7H14OS
Molecular Weight:
146.2505
IUPAC Name:
2-[(E)-2-methylbut-2-enyl]sulfanylethanol
InChI:
InChI=1S/C7H14OS/c1-3-7(2)6-9-5-4-8/h3,8H,4-6H2,1-2H3/b7-3+
InChI Key:
MNHIQPXQJJSRRG-XVNBXDOJSA-N
SMILES:
CC(=CC)CSCCO
EC Number:
279-888-9
Properties
Complexity:
88.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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