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87711-86-2 | 1-Naphthalenol, 2-[bis(methylthio)methylene]-1,2,3,4-tetrahydro-
CAS No: 87711-86-2 Catalog No: AG004NC0 MDL No:
Product Description
Catalog Number:
AG004NC0
Chemical Name:
1-Naphthalenol, 2-[bis(methylthio)methylene]-1,2,3,4-tetrahydro-
CAS Number:
87711-86-2
Molecular Formula:
C13H16OS2
Molecular Weight:
252.3955
IUPAC Name:
2-[bis(methylsulfanyl)methylidene]-3,4-dihydro-1H-naphthalen-1-ol
InChI:
InChI=1S/C13H16OS2/c1-15-13(16-2)11-8-7-9-5-3-4-6-10(9)12(11)14/h3-6,12,14H,7-8H2,1-2H3
InChI Key:
LDAQVTQRNWDRBB-UHFFFAOYSA-N
SMILES:
CSC(=C1CCc2c(C1O)cccc2)SC
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.39g/mol
Monoisotopic Mass:
252.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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