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89648-90-8 | 2,6-Octadiene-4-thiol, 2,6-dimethyl-
CAS No: 89648-90-8 Catalog No: AG003VV6 MDL No:
Product Description
Catalog Number:
AG003VV6
Chemical Name:
2,6-Octadiene-4-thiol, 2,6-dimethyl-
CAS Number:
89648-90-8
Molecular Formula:
C10H18S
Molecular Weight:
170.3149
IUPAC Name:
2,6-dimethylocta-2,6-diene-4-thiol
InChI:
InChI=1S/C10H18S/c1-5-9(4)7-10(11)6-8(2)3/h5-6,10-11H,7H2,1-4H3
InChI Key:
GPFJXFDTEVUJGO-UHFFFAOYSA-N
SMILES:
CC=C(CC(C=C(C)C)S)C
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.113g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.314g/mol
Monoisotopic Mass:
170.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
4
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