methyl N-(6-methyl-2-pyridinyl)carbamodithioate

C8H10N2S2 — CID 3002252

IUPACmethyl N-(6-methyl-2-pyridinyl)carbamodithioate
SMILESCSC(=S)Nc1cccc(C)n1
InChIInChI=1S/C8H10N2S2/c1-6-4-3-5-7(9-6)10-8(11)12-2/h3-5H,1-2H3,(H,9,10,11)
InChIKeyPLWXTXHTZPMTSK-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.45
Rot. Bonds1

About methyl N-(6-methyl-2-pyridinyl)carbamodithioate

methyl N-(6-methyl-2-pyridinyl)carbamodithioate (PubChem CID 3002252) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is methyl N-(6-methyl-2-pyridinyl)carbamodithioate.

Molecular Properties

Compound Namemethyl N-(6-methyl-2-pyridinyl)carbamodithioate
PubChem CID3002252
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Namemethyl N-(6-methyl-2-pyridinyl)carbamodithioate
SMILESCSC(=S)Nc1cccc(C)n1
InChIInChI=1S/C8H10N2S2/c1-6-4-3-5-7(9-6)10-8(11)12-2/h3-5H,1-2H3,(H,9,10,11)
InChIKeyPLWXTXHTZPMTSK-UHFFFAOYSA-N
XLogP2.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(6-methyl-2-pyridinyl)carbamodithioate?
The IUPAC name of methyl N-(6-methyl-2-pyridinyl)carbamodithioate (CID 3002252) is methyl N-(6-methyl-2-pyridinyl)carbamodithioate.
What is the SMILES notation for methyl N-(6-methyl-2-pyridinyl)carbamodithioate?
The canonical SMILES for methyl N-(6-methyl-2-pyridinyl)carbamodithioate is CSC(=S)Nc1cccc(C)n1.
What is the InChIKey of methyl N-(6-methyl-2-pyridinyl)carbamodithioate?
The InChIKey is PLWXTXHTZPMTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c1-6-4-3-5-7(9-6)10-8(11)12-2/h3-5H,1-2H3,(H,9,10,11).
What are the key properties of methyl N-(6-methyl-2-pyridinyl)carbamodithioate?
methyl N-(6-methyl-2-pyridinyl)carbamodithioate has a molecular weight of 198.32 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-methyl-2-pyridinyl)carbamodithioate is sourced from PubChem (CID 3002252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).