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137601-58-2 | Benzo[c]thiophene, 4,5,6,7-tetrahydro-1,3-dimethyl-5-(4-methylphenyl)-
CAS No: 137601-58-2 Catalog No: AG0013MM MDL No:
Product Description
Catalog Number:
AG0013MM
Chemical Name:
Benzo[c]thiophene, 4,5,6,7-tetrahydro-1,3-dimethyl-5-(4-methylphenyl)-
CAS Number:
137601-58-2
Molecular Formula:
C17H20S
Molecular Weight:
256.4057
IUPAC Name:
1,3-dimethyl-5-(4-methylphenyl)-4,5,6,7-tetrahydro-2-benzothiophene
InChI:
InChI=1S/C17H20S/c1-11-4-6-14(7-5-11)15-8-9-16-12(2)18-13(3)17(16)10-15/h4-7,15H,8-10H2,1-3H3
InChI Key:
CLRQDNXWEZORJX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C1CCc2c(C1)c(C)sc2C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.129g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.407g/mol
Monoisotopic Mass:
256.129g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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