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77566-20-2 | Thiophene,tetrahydro-2-(phenylmethylene)-
CAS No: 77566-20-2 Catalog No: AG005GSE MDL No:
Product Description
Catalog Number:
AG005GSE
Chemical Name:
Thiophene,tetrahydro-2-(phenylmethylene)-
CAS Number:
77566-20-2
Molecular Formula:
C11H12S
Molecular Weight:
176.2780
IUPAC Name:
2-benzylidenethiolane
InChI:
InChI=1S/C11H12S/c1-2-5-10(6-3-1)9-11-7-4-8-12-11/h1-3,5-6,9H,4,7-8H2
InChI Key:
NECYHEDMLJNMAL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C=C1CCCS1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.277g/mol
Monoisotopic Mass:
176.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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