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88674-00-4 | 2-Thiophenethiol, 3-(2-methyl-3-benzofuranyl)-
CAS No: 88674-00-4 Catalog No: AG0047GY MDL No:
Product Description
Catalog Number:
AG0047GY
Chemical Name:
2-Thiophenethiol, 3-(2-methyl-3-benzofuranyl)-
CAS Number:
88674-00-4
Molecular Formula:
C13H10OS2
Molecular Weight:
246.3479
IUPAC Name:
3-(2-methyl-1-benzofuran-3-yl)thiophene-2-thiol
InChI:
InChI=1S/C13H10OS2/c1-8-12(10-6-7-16-13(10)15)9-4-2-3-5-11(9)14-8/h2-7,15H,1H3
InChI Key:
MWUGVAWSXPJAAW-UHFFFAOYSA-N
SMILES:
Cc1oc2c(c1c1ccsc1S)cccc2
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.017g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.342g/mol
Monoisotopic Mass:
246.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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