thiolane;1,3,5-trimethylpyrazole

C10H18N2S — CID 19065769

IUPACthiolane;1,3,5-trimethylpyrazole
SMILESC1CCSC1.Cc1cc(C)n(C)n1
InChIInChI=1S/C6H10N2.C4H8S/c1-5-4-6(2)8(3)7-5;1-2-4-5-3-1/h4H,1-3H3;1-4H2
InChIKeyMXFRVBYLKFRSQV-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.55
Rot. Bonds

About thiolane;1,3,5-trimethylpyrazole

thiolane;1,3,5-trimethylpyrazole (PubChem CID 19065769) has the molecular formula C10H18N2S and a molecular weight of 198.34 g/mol. Its IUPAC name is thiolane;1,3,5-trimethylpyrazole.

Molecular Properties

Compound Namethiolane;1,3,5-trimethylpyrazole
PubChem CID19065769
Molecular FormulaC10H18N2S
Molecular Weight198.34 g/mol
Exact Mass198.12
IUPAC Namethiolane;1,3,5-trimethylpyrazole
SMILESC1CCSC1.Cc1cc(C)n(C)n1
InChIInChI=1S/C6H10N2.C4H8S/c1-5-4-6(2)8(3)7-5;1-2-4-5-3-1/h4H,1-3H3;1-4H2
InChIKeyMXFRVBYLKFRSQV-UHFFFAOYSA-N
XLogP2.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiolane;1,3,5-trimethylpyrazole?
The IUPAC name of thiolane;1,3,5-trimethylpyrazole (CID 19065769) is thiolane;1,3,5-trimethylpyrazole.
What is the SMILES notation for thiolane;1,3,5-trimethylpyrazole?
The canonical SMILES for thiolane;1,3,5-trimethylpyrazole is C1CCSC1.Cc1cc(C)n(C)n1.
What is the InChIKey of thiolane;1,3,5-trimethylpyrazole?
The InChIKey is MXFRVBYLKFRSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C4H8S/c1-5-4-6(2)8(3)7-5;1-2-4-5-3-1/h4H,1-3H3;1-4H2.
What are the key properties of thiolane;1,3,5-trimethylpyrazole?
thiolane;1,3,5-trimethylpyrazole has a molecular weight of 198.34 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiolane;1,3,5-trimethylpyrazole is sourced from PubChem (CID 19065769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).