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75919-81-2 | benzene, 1,4-bis(methylthiomethyl)-
CAS No: 75919-81-2 Catalog No: AG005HCD MDL No:
Product Description
Catalog Number:
AG005HCD
Chemical Name:
benzene, 1,4-bis(methylthiomethyl)-
CAS Number:
75919-81-2
Molecular Formula:
C10H14S2
Molecular Weight:
198.3482
IUPAC Name:
1,4-bis(methylsulfanylmethyl)benzene
InChI:
InChI=1S/C10H14S2/c1-11-7-9-3-5-10(6-4-9)8-12-2/h3-6H,7-8H2,1-2H3
InChI Key:
RXSOGQQIXHXMGS-UHFFFAOYSA-N
SMILES:
CSCc1ccc(cc1)CSC
NSC Number:
93933
Properties
Complexity:
92.4
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:
2.8
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