| CAS Number | 10075-78-2 |
| Catalog Number | AG0002S6(AGN-PC-0OQ05W) |
| Chemical Name | Naphthalene,2,7-bis(methylthio)- |
| 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 |
| MDL Number | MFCD06656542 |
| Molecular Formula | C12H12S2 |
| Molecular Weight | 220.3537 |
| SMILES | CSc1ccc2c(c1)cc(cc2)SC |
| Synonyms | 2,7-Bis-(methylthio)naphthalene,
10075-78-2,
Naphthalene,2,7-bis(methylthio)-,
2,7-bis(methylsulfanyl)naphthalene,
2,7-Bis(methylthio)naphthalene,
CTK3J9236,
DTXSID30649845,
7265AC,
ZINC14628775,
AKOS015852529,
TR-000249,
FT-0677513,
Y-9602,
I14-39346,
C12H12S2,
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| 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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Certificate of Analysis
Lot Number