5-(disulfanyloxy)-1H-pyrazole

C3H4N2OS2 — CID 146364372

IUPAC5-(disulfanyloxy)-1H-pyrazole
SMILESSSOc1ccn[nH]1
InChIInChI=1S/C3H4N2OS2/c7-8-6-3-1-2-4-5-3/h1-2,7H,(H,4,5)
InChIKeyCVJHHQYNXGKIMD-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.28
Rot. Bonds2

About 5-(disulfanyloxy)-1H-pyrazole

5-(disulfanyloxy)-1H-pyrazole (PubChem CID 146364372) has the molecular formula C3H4N2OS2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 5-(disulfanyloxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(disulfanyloxy)-1H-pyrazole
PubChem CID146364372
Molecular FormulaC3H4N2OS2
Molecular Weight148.21 g/mol
Exact Mass147.98
IUPAC Name5-(disulfanyloxy)-1H-pyrazole
SMILESSSOc1ccn[nH]1
InChIInChI=1S/C3H4N2OS2/c7-8-6-3-1-2-4-5-3/h1-2,7H,(H,4,5)
InChIKeyCVJHHQYNXGKIMD-UHFFFAOYSA-N
XLogP1.28
TPSA37.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(trifluoromethoxy)-1H-pyrazole
CID 76545932
oxo(1H-pyrazol-5-yloxy)borane
CID 90694774
2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid
CID 174804898
dioxido(1H-pyrazol-5-yloxy)borane;manganese(2+)
CID 174913955
5-ethoxy-1H-pyrazole;hydrochloride
CID 174906151
CID 174155754
CID 174155754
1H-pyrazol-5-yl sulfanyl hydrogen phosphate
CID 88718665
trimethyl(1H-pyrazol-5-yloxymethyl)silane
CID 155784154
1H-pyrazol-5-yl sulfite
CID 57108723
5-prop-2-ynoxy-1H-pyrazole
CID 139451946
5-(2,2,3,3,4,4,4-heptafluorobutoxy)-1H-pyrazole
CID 141346603
telluroxodihydrodiazole
CID 139263061

Frequently Asked Questions

What is the IUPAC name of 5-(disulfanyloxy)-1H-pyrazole?
The IUPAC name of 5-(disulfanyloxy)-1H-pyrazole (CID 146364372) is 5-(disulfanyloxy)-1H-pyrazole.
What is the SMILES notation for 5-(disulfanyloxy)-1H-pyrazole?
The canonical SMILES for 5-(disulfanyloxy)-1H-pyrazole is SSOc1ccn[nH]1.
What is the InChIKey of 5-(disulfanyloxy)-1H-pyrazole?
The InChIKey is CVJHHQYNXGKIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2OS2/c7-8-6-3-1-2-4-5-3/h1-2,7H,(H,4,5).
What are the key properties of 5-(disulfanyloxy)-1H-pyrazole?
5-(disulfanyloxy)-1H-pyrazole has a molecular weight of 148.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(disulfanyloxy)-1H-pyrazole is sourced from PubChem (CID 146364372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).