methyl naphthalene-2-carbodithioate

C12H10S2 — CID 816756

IUPACmethyl naphthalene-2-carbodithioate
SMILESCSC(=S)c1ccc2ccccc2c1
InChIInChI=1S/C12H10S2/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKeyCXBUBCUQYMCHMX-UHFFFAOYSA-N
MW218.35 g/mol
LogP3.88
Rot. Bonds1

About methyl naphthalene-2-carbodithioate

methyl naphthalene-2-carbodithioate (PubChem CID 816756) has the molecular formula C12H10S2 and a molecular weight of 218.35 g/mol. Its IUPAC name is methyl naphthalene-2-carbodithioate.

Molecular Properties

Compound Namemethyl naphthalene-2-carbodithioate
PubChem CID816756
Molecular FormulaC12H10S2
Molecular Weight218.35 g/mol
Exact Mass218.02
IUPAC Namemethyl naphthalene-2-carbodithioate
SMILESCSC(=S)c1ccc2ccccc2c1
InChIInChI=1S/C12H10S2/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKeyCXBUBCUQYMCHMX-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.35
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl naphthalene-2-carbodithioate?
The IUPAC name of methyl naphthalene-2-carbodithioate (CID 816756) is methyl naphthalene-2-carbodithioate.
What is the SMILES notation for methyl naphthalene-2-carbodithioate?
The canonical SMILES for methyl naphthalene-2-carbodithioate is CSC(=S)c1ccc2ccccc2c1.
What is the InChIKey of methyl naphthalene-2-carbodithioate?
The InChIKey is CXBUBCUQYMCHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S2/c1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3.
What are the key properties of methyl naphthalene-2-carbodithioate?
methyl naphthalene-2-carbodithioate has a molecular weight of 218.35 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl naphthalene-2-carbodithioate is sourced from PubChem (CID 816756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).