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89647-54-1 | 1-Naphthalenethiol, 2-(1-methyl-2-propenyl)-
CAS No: 89647-54-1 Catalog No: AG003VHD MDL No:
Product Description
Catalog Number:
AG003VHD
Chemical Name:
1-Naphthalenethiol, 2-(1-methyl-2-propenyl)-
CAS Number:
89647-54-1
Molecular Formula:
C14H14S
Molecular Weight:
214.3260
IUPAC Name:
2-but-3-en-2-ylnaphthalene-1-thiol
InChI:
InChI=1S/C14H14S/c1-3-10(2)12-9-8-11-6-4-5-7-13(11)14(12)15/h3-10,15H,1H2,2H3
InChI Key:
NZYUPQRRFKJALE-UHFFFAOYSA-N
SMILES:
C=CC(c1ccc2c(c1S)cccc2)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.326g/mol
Monoisotopic Mass:
214.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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