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10075-78-2 | Naphthalene, 2,7-bis(methylthio)-
CAS No: 10075-78-2 Catalog No: AG0002S6 MDL No:MFCD06656542
Product Description
Catalog Number:
AG0002S6
Chemical Name:
Naphthalene, 2,7-bis(methylthio)-
CAS Number:
10075-78-2
Molecular Formula:
C12H12S2
Molecular Weight:
220.3537
MDL Number:
MFCD06656542
IUPAC Name:
2,7-bis(methylsulfanyl)naphthalene
InChI:
InChI=1S/C12H12S2/c1-13-11-5-3-9-4-6-12(14-2)8-10(9)7-11/h3-8H,1-2H3
InChI Key:
SHZPAHLHBNVKJI-UHFFFAOYSA-N
SMILES:
CSc1ccc2c(c1)cc(cc2)SC
Properties
Complexity:
163
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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