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85609-04-7 | Benzene, 1,2-bis(ethylthio)-
CAS No: 85609-04-7 Catalog No: AG004U4T MDL No:
Product Description
Catalog Number:
AG004U4T
Chemical Name:
Benzene, 1,2-bis(ethylthio)-
CAS Number:
85609-04-7
Molecular Formula:
C10H14S2
Molecular Weight:
198.3482
IUPAC Name:
1,2-bis(ethylsulfanyl)benzene
InChI:
InChI=1S/C10H14S2/c1-3-11-9-7-5-6-8-10(9)12-4-2/h5-8H,3-4H2,1-2H3
InChI Key:
ZQNAGCUHNSMONH-UHFFFAOYSA-N
SMILES:
CCSc1ccccc1SCC
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.342g/mol
Monoisotopic Mass:
198.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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