4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole

C7H8N2S — CID 123574213

IUPAC4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole
SMILESCC1C=CSc2[nH]ncc21
InChIInChI=1S/C7H8N2S/c1-5-2-3-10-7-6(5)4-8-9-7/h2-5H,1H3,(H,8,9)
InChIKeyWOTSNSJZEDGWDC-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.13
Rot. Bonds

About 4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole

4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole (PubChem CID 123574213) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is 4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole.

Molecular Properties

Compound Name4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole
PubChem CID123574213
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC Name4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole
SMILESCC1C=CSc2[nH]ncc21
InChIInChI=1S/C7H8N2S/c1-5-2-3-10-7-6(5)4-8-9-7/h2-5H,1H3,(H,8,9)
InChIKeyWOTSNSJZEDGWDC-UHFFFAOYSA-N
XLogP2.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole?
The IUPAC name of 4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole (CID 123574213) is 4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole.
What is the SMILES notation for 4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole?
The canonical SMILES for 4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole is CC1C=CSc2[nH]ncc21.
What is the InChIKey of 4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole?
The InChIKey is WOTSNSJZEDGWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-5-2-3-10-7-6(5)4-8-9-7/h2-5H,1H3,(H,8,9).
What are the key properties of 4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole?
4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole has a molecular weight of 152.22 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-dihydrothiopyrano[3,2-d]pyrazole is sourced from PubChem (CID 123574213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).