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89333-31-3 | Benzene, [(methylthio)(2-propenylthio)methyl]-
CAS No: 89333-31-3 Catalog No: AG003YE6 MDL No:
Product Description
Catalog Number:
AG003YE6
Chemical Name:
Benzene, [(methylthio)(2-propenylthio)methyl]-
CAS Number:
89333-31-3
Molecular Formula:
C11H14S2
Molecular Weight:
210.3589
IUPAC Name:
[methylsulfanyl(prop-2-enylsulfanyl)methyl]benzene
InChI:
InChI=1S/C11H14S2/c1-3-9-13-11(12-2)10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3
InChI Key:
OORRTAXLGWRCOO-UHFFFAOYSA-N
SMILES:
C=CCSC(c1ccccc1)SC
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.353g/mol
Monoisotopic Mass:
210.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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