1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea

C8H11N3OS — CID 57254675

IUPAC1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea
SMILESCc1cc(C)nc(N(S)C(N)=O)c1
InChIInChI=1S/C8H11N3OS/c1-5-3-6(2)10-7(4-5)11(13)8(9)12/h3-4,13H,1-2H3,(H2,9,12)
InChIKeyUCZOPNCYDVRNNG-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.43
Rot. Bonds1

About 1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea

1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea (PubChem CID 57254675) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea
PubChem CID57254675
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea
SMILESCc1cc(C)nc(N(S)C(N)=O)c1
InChIInChI=1S/C8H11N3OS/c1-5-3-6(2)10-7(4-5)11(13)8(9)12/h3-4,13H,1-2H3,(H2,9,12)
InChIKeyUCZOPNCYDVRNNG-UHFFFAOYSA-N
XLogP1.43
TPSA59.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea (CID 57254675) is 1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea is Cc1cc(C)nc(N(S)C(N)=O)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea?
The InChIKey is UCZOPNCYDVRNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c1-5-3-6(2)10-7(4-5)11(13)8(9)12/h3-4,13H,1-2H3,(H2,9,12).
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea?
1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea has a molecular weight of 197.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-1-sulfanylurea is sourced from PubChem (CID 57254675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).