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1010-50-0 | Benzo[b]thiophene, 2,3,4,7-tetramethyl-
CAS No: 1010-50-0 Catalog No: AG0003GH MDL No:
Product Description
Catalog Number:
AG0003GH
Chemical Name:
Benzo[b]thiophene, 2,3,4,7-tetramethyl-
CAS Number:
1010-50-0
Molecular Formula:
C12H14S
Molecular Weight:
190.3046
IUPAC Name:
2,3,4,7-tetramethyl-1-benzothiophene
InChI:
InChI=1S/C12H14S/c1-7-5-6-8(2)12-11(7)9(3)10(4)13-12/h5-6H,1-4H3
InChI Key:
ZMAWYWXCNZDPRJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c2c1c(C)c(s2)C)C
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.082g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.304g/mol
Monoisotopic Mass:
190.082g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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