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13125-70-7 | Benzene, [1-(methylthio)ethyl]-
CAS No: 13125-70-7 Catalog No: AG000VT6 MDL No:
Product Description
Catalog Number:
AG000VT6
Chemical Name:
Benzene, [1-(methylthio)ethyl]-
CAS Number:
13125-70-7
Molecular Formula:
C9H12S
Molecular Weight:
152.2566
IUPAC Name:
1-methylsulfanylethylbenzene
InChI:
InChI=1S/C9H12S/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI Key:
VRWTYTHRWWKAGO-UHFFFAOYSA-N
SMILES:
CSC(c1ccccc1)C
Properties
Complexity:
84.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.066g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.255g/mol
Monoisotopic Mass:
152.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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