Naphthalene, 1,8-mercaptomethyl-
[8-(sulfanylmethyl)naphthalen-1-yl]methanethiol
Also Known As: Naphthalene, 1,8-mercaptomethyl-|1,8-Naphthalenedimethanethiol|Naphthalene,1,8-mercaptomethyl|1,8-naphthylenedimethanethiol|1,8-naphthylenebismethanethiol|naphthalene-1,8-diyldimethanethiol|1,8-bis(mercaptomethyl)naphthalene|1,8-bis(sulfanyl-methyl)naphthalene|[8-(sulfanylmethyl)naphthalen-1-yl]methanethiol|(Naphthalene-1,8-diyl)dimethanethiol|J1.424.001B
| Molecular Formula | C12H12S2 |
|---|---|
| Molecular Weight | 220.03804 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 2.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.03804 |
| Monoisotopic Mass | 220.03804 |
| Heavy Atoms | 14 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 60948-99-4 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)CS)C(=CC=C2)CS |
| InChIKey | JKNPWHHGFOPCTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Naphthalene, 1,8-mercaptomethyl- (CAS 60948-99-4), with molecular formula C12H12S2 and molecular weight 220.03804 g/mol. IUPAC: [8-(sulfanylmethyl)naphthalen-1-yl]methanethiol.
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