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88254-71-1 | Cyclohexanethione, 2-(3-methyl-2(3H)-benzothiazolylidene)-
CAS No: 88254-71-1 Catalog No: AG004CGR MDL No:
Product Description
Catalog Number:
AG004CGR
Chemical Name:
Cyclohexanethione, 2-(3-methyl-2(3H)-benzothiazolylidene)-
CAS Number:
88254-71-1
Molecular Formula:
C14H15NS2
Molecular Weight:
261.4056
IUPAC Name:
2-(3-methyl-1,3-benzothiazol-2-ylidene)cyclohexane-1-thione
InChI:
InChI=1S/C14H15NS2/c1-15-11-7-3-5-9-13(11)17-14(15)10-6-2-4-8-12(10)16/h3,5,7,9H,2,4,6,8H2,1H3
InChI Key:
HJZCLHZOVCMVOL-UHFFFAOYSA-N
SMILES:
Cn1c(=C2CCCCC2=S)sc2c1cccc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.065g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.401g/mol
Monoisotopic Mass:
261.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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