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89781-12-4 | Naphthalene, 2-[(1-methylpropyl)thio]-
CAS No: 89781-12-4 Catalog No: AG00409B MDL No:
Product Description
Catalog Number:
AG00409B
Chemical Name:
Naphthalene, 2-[(1-methylpropyl)thio]-
CAS Number:
89781-12-4
Molecular Formula:
C14H16S
Molecular Weight:
216.3418
IUPAC Name:
2-butan-2-ylsulfanylnaphthalene
InChI:
InChI=1S/C14H16S/c1-3-11(2)15-14-9-8-12-6-4-5-7-13(12)10-14/h4-11H,3H2,1-2H3
InChI Key:
VVVDNVOQJSYBBW-UHFFFAOYSA-N
SMILES:
CCC(Sc1ccc2c(c1)cccc2)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.342g/mol
Monoisotopic Mass:
216.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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