(4-methylphenyl)methyl piperidine-1-carbodithioate

C14H19NS2 — CID 46197118

IUPAC(4-methylphenyl)methyl piperidine-1-carbodithioate
SMILESCc1ccc(CSC(=S)N2CCCCC2)cc1
InChIInChI=1S/C14H19NS2/c1-12-5-7-13(8-6-12)11-17-14(16)15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKeySHTLRCNJPIPUQC-UHFFFAOYSA-N
MW265.45 g/mol
LogP4.00
Rot. Bonds2

About (4-methylphenyl)methyl piperidine-1-carbodithioate

(4-methylphenyl)methyl piperidine-1-carbodithioate (PubChem CID 46197118) has the molecular formula C14H19NS2 and a molecular weight of 265.45 g/mol. Its IUPAC name is (4-methylphenyl)methyl piperidine-1-carbodithioate.

Molecular Properties

Compound Name(4-methylphenyl)methyl piperidine-1-carbodithioate
PubChem CID46197118
Molecular FormulaC14H19NS2
Molecular Weight265.45 g/mol
Exact Mass265.10
IUPAC Name(4-methylphenyl)methyl piperidine-1-carbodithioate
SMILESCc1ccc(CSC(=S)N2CCCCC2)cc1
InChIInChI=1S/C14H19NS2/c1-12-5-7-13(8-6-12)11-17-14(16)15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3
InChIKeySHTLRCNJPIPUQC-UHFFFAOYSA-N
XLogP4.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 54.00
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 (4-methylphenyl)methyl piperidine-1-carbodithioate?
The IUPAC name of (4-methylphenyl)methyl piperidine-1-carbodithioate (CID 46197118) is (4-methylphenyl)methyl piperidine-1-carbodithioate.
What is the SMILES notation for (4-methylphenyl)methyl piperidine-1-carbodithioate?
The canonical SMILES for (4-methylphenyl)methyl piperidine-1-carbodithioate is Cc1ccc(CSC(=S)N2CCCCC2)cc1.
What is the InChIKey of (4-methylphenyl)methyl piperidine-1-carbodithioate?
The InChIKey is SHTLRCNJPIPUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS2/c1-12-5-7-13(8-6-12)11-17-14(16)15-9-3-2-4-10-15/h5-8H,2-4,9-11H2,1H3.
What are the key properties of (4-methylphenyl)methyl piperidine-1-carbodithioate?
(4-methylphenyl)methyl piperidine-1-carbodithioate has a molecular weight of 265.45 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl piperidine-1-carbodithioate is sourced from PubChem (CID 46197118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).