2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole

C8H12N2S — CID 58961033

IUPAC2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole
SMILESCc1c2c(nn1C)CSCC2
InChIInChI=1S/C8H12N2S/c1-6-7-3-4-11-5-8(7)9-10(6)2/h3-5H2,1-2H3
InChIKeyJBFLGCWSUIQONB-UHFFFAOYSA-N
MW168.26 g/mol
LogP1.52
Rot. Bonds

About 2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole

2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole (PubChem CID 58961033) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole.

Molecular Properties

Compound Name2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole
PubChem CID58961033
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole
SMILESCc1c2c(nn1C)CSCC2
InChIInChI=1S/C8H12N2S/c1-6-7-3-4-11-5-8(7)9-10(6)2/h3-5H2,1-2H3
InChIKeyJBFLGCWSUIQONB-UHFFFAOYSA-N
XLogP1.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole?
The IUPAC name of 2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole (CID 58961033) is 2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole.
What is the SMILES notation for 2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole?
The canonical SMILES for 2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole is Cc1c2c(nn1C)CSCC2.
What is the InChIKey of 2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole?
The InChIKey is JBFLGCWSUIQONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6-7-3-4-11-5-8(7)9-10(6)2/h3-5H2,1-2H3.
What are the key properties of 2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole?
2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole has a molecular weight of 168.26 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole is sourced from PubChem (CID 58961033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).