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89664-22-2 | Benzenethiol, 2-ethenyl-
CAS No: 89664-22-2 Catalog No: AG0044WL MDL No:MFCD18451581
Product Description
Catalog Number:
AG0044WL
Chemical Name:
Benzenethiol, 2-ethenyl-
CAS Number:
89664-22-2
Molecular Formula:
C8H8S
Molecular Weight:
136.2141
MDL Number:
MFCD18451581
IUPAC Name:
2-ethenylbenzenethiol
InChI:
InChI=1S/C8H8S/c1-2-7-5-3-4-6-8(7)9/h2-6,9H,1H2
InChI Key:
NADUDFSNHZPLIN-UHFFFAOYSA-N
SMILES:
C=Cc1ccccc1S
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.212g/mol
Monoisotopic Mass:
136.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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