4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole

C7H10N2S2 — CID 170965101

IUPAC4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole
SMILESCC1(c2cn[nH]c2)SCCS1
InChIInChI=1S/C7H10N2S2/c1-7(10-2-3-11-7)6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyDWZPSZJRIDKBLT-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.06
Rot. Bonds1

About 4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole

4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole (PubChem CID 170965101) has the molecular formula C7H10N2S2 and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole
PubChem CID170965101
Molecular FormulaC7H10N2S2
Molecular Weight186.30 g/mol
Exact Mass186.03
IUPAC Name4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole
SMILESCC1(c2cn[nH]c2)SCCS1
InChIInChI=1S/C7H10N2S2/c1-7(10-2-3-11-7)6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9)
InChIKeyDWZPSZJRIDKBLT-UHFFFAOYSA-N
XLogP2.06
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole?
The IUPAC name of 4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole (CID 170965101) is 4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole.
What is the SMILES notation for 4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole?
The canonical SMILES for 4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole is CC1(c2cn[nH]c2)SCCS1.
What is the InChIKey of 4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole?
The InChIKey is DWZPSZJRIDKBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S2/c1-7(10-2-3-11-7)6-4-8-9-5-6/h4-5H,2-3H2,1H3,(H,8,9).
What are the key properties of 4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole?
4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole has a molecular weight of 186.30 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-dithiolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 170965101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).