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114073-12-0 | Phenol, 2-(1,3-dithiolan-2-ylideneamino)-4-pentyl-
CAS No: 114073-12-0 Catalog No: AG000AHS MDL No:
Product Description
Catalog Number:
AG000AHS
Chemical Name:
Phenol, 2-(1,3-dithiolan-2-ylideneamino)-4-pentyl-
CAS Number:
114073-12-0
Molecular Formula:
C14H19NOS2
Molecular Weight:
281.4368
IUPAC Name:
2-(1,3-dithiolan-2-ylideneamino)-4-pentylphenol
InChI:
InChI=1S/C14H19NOS2/c1-2-3-4-5-11-6-7-13(16)12(10-11)15-14-17-8-9-18-14/h6-7,10,16H,2-5,8-9H2,1H3
InChI Key:
LCCYCIMWUODFAV-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(c(c1)N=C1SCCS1)O
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.432g/mol
Monoisotopic Mass:
281.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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