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81977-19-7 | Benzene, 2-(ethylthio)-1,3-dimethoxy-
CAS No: 81977-19-7 Catalog No: AG004ZTH MDL No:
Product Description
Catalog Number:
AG004ZTH
Chemical Name:
Benzene, 2-(ethylthio)-1,3-dimethoxy-
CAS Number:
81977-19-7
Molecular Formula:
C10H14O2S
Molecular Weight:
198.2820
IUPAC Name:
2-ethylsulfanyl-1,3-dimethoxybenzene
InChI:
InChI=1S/C10H14O2S/c1-4-13-10-8(11-2)6-5-7-9(10)12-3/h5-7H,4H2,1-3H3
InChI Key:
UOEYVBHUBALBHN-UHFFFAOYSA-N
SMILES:
CCSc1c(OC)cccc1OC
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.071g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.28g/mol
Monoisotopic Mass:
198.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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