1-pyrazol-1-yl-1-sulfanylurea

C4H6N4OS — CID 91368354

IUPAC1-pyrazol-1-yl-1-sulfanylurea
SMILESNC(=O)N(S)n1cccn1
InChIInChI=1S/C4H6N4OS/c5-4(9)8(10)7-3-1-2-6-7/h1-3,10H,(H2,5,9)
InChIKeyLVACUNPCSWZFBY-UHFFFAOYSA-N
MW158.19 g/mol
LogP-0.26
Rot. Bonds1

About 1-pyrazol-1-yl-1-sulfanylurea

1-pyrazol-1-yl-1-sulfanylurea (PubChem CID 91368354) has the molecular formula C4H6N4OS and a molecular weight of 158.19 g/mol. Its IUPAC name is 1-pyrazol-1-yl-1-sulfanylurea.

Molecular Properties

Compound Name1-pyrazol-1-yl-1-sulfanylurea
PubChem CID91368354
Molecular FormulaC4H6N4OS
Molecular Weight158.19 g/mol
Exact Mass158.03
IUPAC Name1-pyrazol-1-yl-1-sulfanylurea
SMILESNC(=O)N(S)n1cccn1
InChIInChI=1S/C4H6N4OS/c5-4(9)8(10)7-3-1-2-6-7/h1-3,10H,(H2,5,9)
InChIKeyLVACUNPCSWZFBY-UHFFFAOYSA-N
XLogP-0.26
TPSA64.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Ureidopyrazole
CID 19911942
2-Aminothiodiazole
CID 19959634
Pyrazole-semicarbazide
CID 141079323
N-1H-pyrazol-1-ylformamide
CID 638906
2-Pyrazol-1-ylguanidine
CID 19108548
pyrazol-1-ylcarbamothioic S-acid
CID 21113983
1-Pyrazol-1-yl-3-sulfonylurea
CID 21464940
Pyrazol-1-ylthiourea
CID 21798615
Pyrazol-1-ylsulfonylurea
CID 22167577
Carbamoyl pyrazole-1-sulfonate
CID 23055475
1-Isocyanatopyrazole
CID 23103413
N-(oxomethylidene)pyrazole-1-sulfonamide
CID 23299107

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-1-sulfanylurea?
The IUPAC name of 1-pyrazol-1-yl-1-sulfanylurea (CID 91368354) is 1-pyrazol-1-yl-1-sulfanylurea.
What is the SMILES notation for 1-pyrazol-1-yl-1-sulfanylurea?
The canonical SMILES for 1-pyrazol-1-yl-1-sulfanylurea is NC(=O)N(S)n1cccn1.
What is the InChIKey of 1-pyrazol-1-yl-1-sulfanylurea?
The InChIKey is LVACUNPCSWZFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4OS/c5-4(9)8(10)7-3-1-2-6-7/h1-3,10H,(H2,5,9).
What are the key properties of 1-pyrazol-1-yl-1-sulfanylurea?
1-pyrazol-1-yl-1-sulfanylurea has a molecular weight of 158.19 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-1-sulfanylurea is sourced from PubChem (CID 91368354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).