3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole

C10H10N2S2 — CID 121214710

IUPAC3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole
SMILESc1csc(-c2n[nH]c3c2CSCC3)c1
InChIInChI=1S/C10H10N2S2/c1-2-9(14-4-1)10-7-6-13-5-3-8(7)11-12-10/h1-2,4H,3,5-6H2,(H,11,12)
InChIKeyUUOGOFHMPKWBPH-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.93
Rot. Bonds1

About 3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole

3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole (PubChem CID 121214710) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole.

Molecular Properties

Compound Name3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole
PubChem CID121214710
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole
SMILESc1csc(-c2n[nH]c3c2CSCC3)c1
InChIInChI=1S/C10H10N2S2/c1-2-9(14-4-1)10-7-6-13-5-3-8(7)11-12-10/h1-2,4H,3,5-6H2,(H,11,12)
InChIKeyUUOGOFHMPKWBPH-UHFFFAOYSA-N
XLogP2.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole?
The IUPAC name of 3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole (CID 121214710) is 3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole.
What is the SMILES notation for 3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole?
The canonical SMILES for 3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole is c1csc(-c2n[nH]c3c2CSCC3)c1.
What is the InChIKey of 3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole?
The InChIKey is UUOGOFHMPKWBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c1-2-9(14-4-1)10-7-6-13-5-3-8(7)11-12-10/h1-2,4H,3,5-6H2,(H,11,12).
What are the key properties of 3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole?
3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole has a molecular weight of 222.34 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole is sourced from PubChem (CID 121214710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).