methyl N-naphthalen-1-ylcarbamodithioate

C12H11NS2 — CID 3032597

IUPACmethyl N-naphthalen-1-ylcarbamodithioate
SMILESCSC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C12H11NS2/c1-15-12(14)13-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)
InChIKeyAMWMILZYBSFDJC-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.90
Rot. Bonds1

About methyl N-naphthalen-1-ylcarbamodithioate

methyl N-naphthalen-1-ylcarbamodithioate (PubChem CID 3032597) has the molecular formula C12H11NS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is methyl N-naphthalen-1-ylcarbamodithioate.

Molecular Properties

Compound Namemethyl N-naphthalen-1-ylcarbamodithioate
PubChem CID3032597
Molecular FormulaC12H11NS2
Molecular Weight233.36 g/mol
Exact Mass233.03
IUPAC Namemethyl N-naphthalen-1-ylcarbamodithioate
SMILESCSC(=S)Nc1cccc2ccccc12
InChIInChI=1S/C12H11NS2/c1-15-12(14)13-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)
InChIKeyAMWMILZYBSFDJC-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
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 N-naphthalen-1-ylcarbamodithioate?
The IUPAC name of methyl N-naphthalen-1-ylcarbamodithioate (CID 3032597) is methyl N-naphthalen-1-ylcarbamodithioate.
What is the SMILES notation for methyl N-naphthalen-1-ylcarbamodithioate?
The canonical SMILES for methyl N-naphthalen-1-ylcarbamodithioate is CSC(=S)Nc1cccc2ccccc12.
What is the InChIKey of methyl N-naphthalen-1-ylcarbamodithioate?
The InChIKey is AMWMILZYBSFDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NS2/c1-15-12(14)13-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14).
What are the key properties of methyl N-naphthalen-1-ylcarbamodithioate?
methyl N-naphthalen-1-ylcarbamodithioate has a molecular weight of 233.36 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-naphthalen-1-ylcarbamodithioate is sourced from PubChem (CID 3032597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).