(3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane

C6H12N2OS2 — CID 139320036

IUPAC(3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane
SMILESCOc1ccn(S(C)(C)S)n1
InChIInChI=1S/C6H12N2OS2/c1-9-6-4-5-8(7-6)11(2,3)10/h4-5,10H,1-3H3
InChIKeyOIMGJRJWNSBCGH-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.56
Rot. Bonds2

About (3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane

(3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane (PubChem CID 139320036) has the molecular formula C6H12N2OS2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane.

Molecular Properties

Compound Name(3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane
PubChem CID139320036
Molecular FormulaC6H12N2OS2
Molecular Weight192.31 g/mol
Exact Mass192.04
IUPAC Name(3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane
SMILESCOc1ccn(S(C)(C)S)n1
InChIInChI=1S/C6H12N2OS2/c1-9-6-4-5-8(7-6)11(2,3)10/h4-5,10H,1-3H3
InChIKeyOIMGJRJWNSBCGH-UHFFFAOYSA-N
XLogP1.56
TPSA27.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane?
The IUPAC name of (3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane (CID 139320036) is (3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane.
What is the SMILES notation for (3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane?
The canonical SMILES for (3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane is COc1ccn(S(C)(C)S)n1.
What is the InChIKey of (3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane?
The InChIKey is OIMGJRJWNSBCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS2/c1-9-6-4-5-8(7-6)11(2,3)10/h4-5,10H,1-3H3.
What are the key properties of (3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane?
(3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane has a molecular weight of 192.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrazol-1-yl)-dimethyl-sulfanyl-λ4-sulfane is sourced from PubChem (CID 139320036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).