(6-methyl-2-pyridinyl)thiourea

C7H9N3S — CID 685983

IUPAC(6-methyl-2-pyridinyl)thiourea
SMILESCc1cccc(NC(N)=S)n1
InChIInChI=1S/C7H9N3S/c1-5-3-2-4-6(9-5)10-7(8)11/h2-4H,1H3,(H3,8,9,10,11)
InChIKeyLEWSYNYKTYXRHP-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.05
Rot. Bonds1

About (6-methyl-2-pyridinyl)thiourea

(6-methyl-2-pyridinyl)thiourea (PubChem CID 685983) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)thiourea
PubChem CID685983
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name(6-methyl-2-pyridinyl)thiourea
SMILESCc1cccc(NC(N)=S)n1
InChIInChI=1S/C7H9N3S/c1-5-3-2-4-6(9-5)10-7(8)11/h2-4H,1H3,(H3,8,9,10,11)
InChIKeyLEWSYNYKTYXRHP-UHFFFAOYSA-N
XLogP1.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
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 (6-methyl-2-pyridinyl)thiourea?
The IUPAC name of (6-methyl-2-pyridinyl)thiourea (CID 685983) is (6-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for (6-methyl-2-pyridinyl)thiourea?
The canonical SMILES for (6-methyl-2-pyridinyl)thiourea is Cc1cccc(NC(N)=S)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)thiourea?
The InChIKey is LEWSYNYKTYXRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-5-3-2-4-6(9-5)10-7(8)11/h2-4H,1H3,(H3,8,9,10,11).
What are the key properties of (6-methyl-2-pyridinyl)thiourea?
(6-methyl-2-pyridinyl)thiourea has a molecular weight of 167.24 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 685983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).