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16336-54-2 | Benzene, 1-(ethenylthio)-4-methyl-
CAS No: 16336-54-2 Catalog No: AG001U2J MDL No:
Product Description
Catalog Number:
AG001U2J
Chemical Name:
Benzene, 1-(ethenylthio)-4-methyl-
CAS Number:
16336-54-2
Molecular Formula:
C9H10S
Molecular Weight:
150.2407
IUPAC Name:
1-ethenylsulfanyl-4-methylbenzene
InChI:
InChI=1S/C9H10S/c1-3-10-9-6-4-8(2)5-7-9/h3-7H,1H2,2H3
InChI Key:
RNVDLDAMMFSMIG-UHFFFAOYSA-N
SMILES:
C=CSc1ccc(cc1)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.05g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.239g/mol
Monoisotopic Mass:
150.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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