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141580-93-0 | Benzo[b]thiophene, 2-ethynyl-
CAS No: 141580-93-0 Catalog No: AG001GM1 MDL No:
Product Description
Catalog Number:
AG001GM1
Chemical Name:
Benzo[b]thiophene, 2-ethynyl-
CAS Number:
141580-93-0
Molecular Formula:
C10H6S
Molecular Weight:
158.2196
IUPAC Name:
2-ethynyl-1-benzothiophene
InChI:
InChI=1S/C10H6S/c1-2-9-7-8-5-3-4-6-10(8)11-9/h1,3-7H
InChI Key:
ZMOWLXJCKGPFBT-UHFFFAOYSA-N
SMILES:
C#Cc1cc2c(s1)cccc2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.019g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.218g/mol
Monoisotopic Mass:
158.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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