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114259-65-3 | 1-Naphthalenebutanethiol
CAS No: 114259-65-3 Catalog No: AG000AXI MDL No:
Product Description
Catalog Number:
AG000AXI
Chemical Name:
1-Naphthalenebutanethiol
CAS Number:
114259-65-3
Molecular Formula:
C14H16S
Molecular Weight:
216.3418
IUPAC Name:
4-naphthalen-1-ylbutane-1-thiol
InChI:
InChI=1S/C14H16S/c15-11-4-3-7-13-9-5-8-12-6-1-2-10-14(12)13/h1-2,5-6,8-10,15H,3-4,7,11H2
InChI Key:
GSJIQQDVOJOABR-UHFFFAOYSA-N
SMILES:
SCCCCc1cccc2c1cccc2
Properties
Complexity:
178
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:
1
Isotope Atom Count:
0
Molecular Weight:
216.342g/mol
Monoisotopic Mass:
216.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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