(1-methylpyrazol-3-yl)thiourea

C5H8N4S — CID 60810460

IUPAC(1-methylpyrazol-3-yl)thiourea
SMILESCn1ccc(NC(N)=S)n1
InChIInChI=1S/C5H8N4S/c1-9-3-2-4(8-9)7-5(6)10/h2-3H,1H3,(H3,6,7,8,10)
InChIKeyHEVBYYYVYXQHSS-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.08
Rot. Bonds1

About (1-methylpyrazol-3-yl)thiourea

(1-methylpyrazol-3-yl)thiourea (PubChem CID 60810460) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)thiourea.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)thiourea
PubChem CID60810460
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name(1-methylpyrazol-3-yl)thiourea
SMILESCn1ccc(NC(N)=S)n1
InChIInChI=1S/C5H8N4S/c1-9-3-2-4(8-9)7-5(6)10/h2-3H,1H3,(H3,6,7,8,10)
InChIKeyHEVBYYYVYXQHSS-UHFFFAOYSA-N
XLogP0.08
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
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 (1-methylpyrazol-3-yl)thiourea?
The IUPAC name of (1-methylpyrazol-3-yl)thiourea (CID 60810460) is (1-methylpyrazol-3-yl)thiourea.
What is the SMILES notation for (1-methylpyrazol-3-yl)thiourea?
The canonical SMILES for (1-methylpyrazol-3-yl)thiourea is Cn1ccc(NC(N)=S)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)thiourea?
The InChIKey is HEVBYYYVYXQHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-9-3-2-4(8-9)7-5(6)10/h2-3H,1H3,(H3,6,7,8,10).
What are the key properties of (1-methylpyrazol-3-yl)thiourea?
(1-methylpyrazol-3-yl)thiourea has a molecular weight of 156.21 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)thiourea is sourced from PubChem (CID 60810460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).