3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide

C7H10N2OS — CID 130251417

IUPAC3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide
SMILESCc1[nH]nc2c1CS(=O)CC2
InChIInChI=1S/C7H10N2OS/c1-5-6-4-11(10)3-2-7(6)9-8-5/h2-4H2,1H3,(H,8,9)
InChIKeyJTIMQNKHRHFPLZ-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.52
Rot. Bonds

About 3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide

3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide (PubChem CID 130251417) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide.

Molecular Properties

Compound Name3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide
PubChem CID130251417
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide
SMILESCc1[nH]nc2c1CS(=O)CC2
InChIInChI=1S/C7H10N2OS/c1-5-6-4-11(10)3-2-7(6)9-8-5/h2-4H2,1H3,(H,8,9)
InChIKeyJTIMQNKHRHFPLZ-UHFFFAOYSA-N
XLogP0.52
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

acetaldehyde;ethane;3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 145304489
3-methyl-2,4,6,7-tetrahydropyrano[4,3-c]pyrazole
CID 70661479
ethane;methyl formate;3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 145304614
3-methyl-2,4,5,7-tetrahydrothiopyrano[3,4-c]pyrazole
CID 58961072
5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 165463449
ethane;3-methyl-2,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one
CID 144954980
methyl 3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carboxylate
CID 129091507
5-(chloromethylsulfonyl)-3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 118491777
ethane;1-(3-methyl-4,6,7,8-tetrahydro-2H-pyrazolo[4,3-c]azepin-5-yl)propan-1-one
CID 144955053
N-methyl-1-(3-methyl-4,5,6,7-tetrahydro-2H-indazol-5-yl)methanamine
CID 84718287
tert-butyl 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 161113492
ethane;methoxymethane;3-methyl-4,5,6,7-tetrahydro-2H-indazole-6-carbaldehyde
CID 145304553

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide?
The IUPAC name of 3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide (CID 130251417) is 3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide.
What is the SMILES notation for 3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide?
The canonical SMILES for 3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide is Cc1[nH]nc2c1CS(=O)CC2.
What is the InChIKey of 3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide?
The InChIKey is JTIMQNKHRHFPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5-6-4-11(10)3-2-7(6)9-8-5/h2-4H2,1H3,(H,8,9).
What are the key properties of 3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide?
3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide has a molecular weight of 170.24 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole 5-oxide is sourced from PubChem (CID 130251417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).