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10075-77-1 | Naphthalene, 2,6-bis(methylthio)-
CAS No: 10075-77-1 Catalog No: AG0002S7 MDL No:MFCD06656543
Product Description
Catalog Number:
AG0002S7
Chemical Name:
Naphthalene, 2,6-bis(methylthio)-
CAS Number:
10075-77-1
Molecular Formula:
C12H12S2
Molecular Weight:
220.3537
MDL Number:
MFCD06656543
IUPAC Name:
2,6-bis(methylsulfanyl)naphthalene
InChI:
InChI=1S/C12H12S2/c1-13-11-5-3-10-8-12(14-2)6-4-9(10)7-11/h3-8H,1-2H3
InChI Key:
KRDUPYZJDYFJOC-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)ccc(c2)SC
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.348g/mol
Monoisotopic Mass:
220.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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