8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole

C11H9ClN2S — CID 2741314

IUPAC8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole
SMILESCn1cc2c(n1)-c1cc(Cl)ccc1SC2
InChIInChI=1S/C11H9ClN2S/c1-14-5-7-6-15-10-3-2-8(12)4-9(10)11(7)13-14/h2-5H,6H2,1H3
InChIKeyGFVKZZMYMLKXSG-UHFFFAOYSA-N
MW236.73 g/mol
LogP3.35
Rot. Bonds

About 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole

8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole (PubChem CID 2741314) has the molecular formula C11H9ClN2S and a molecular weight of 236.73 g/mol. Its IUPAC name is 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole.

Molecular Properties

Compound Name8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole
PubChem CID2741314
Molecular FormulaC11H9ClN2S
Molecular Weight236.73 g/mol
Exact Mass236.02
IUPAC Name8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole
SMILESCn1cc2c(n1)-c1cc(Cl)ccc1SC2
InChIInChI=1S/C11H9ClN2S/c1-14-5-7-6-15-10-3-2-8(12)4-9(10)11(7)13-14/h2-5H,6H2,1H3
InChIKeyGFVKZZMYMLKXSG-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.73
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-Chloro-2,4-dihydrothiochromeno[4,3-C]pyrazole
CID 2739678
(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl phenyl sulfide
CID 3446421
7-chloro-1-phenyl-4H-thiochromeno[3,4-d]pyrazole
CID 44570402
7-chloro-1-(4-chlorophenyl)-4H-thiochromeno[3,4-d]pyrazole
CID 44570403
1-(8-chloro-4H-thiochromeno[4,3-c]pyrazol-2-yl)-2,2-dimethylpropan-1-one
CID 2739687
3-(2-Chloro-6-fluorophenyl)-4-methylsulfanyl-1-propan-2-ylpyrazole
CID 142566179
4-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}thiomorpholine
CID 28312315
8-Chloro-2-ethoxycarbonylmethyl-2,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole 5-oxide
CID 20186416
8-chloro-2-prop-2-ynyl-4H-thiochromeno[4,3-c]pyrazole 5-oxide
CID 20186419
8-chloro-1-propan-2-yl-4H-thiochromeno[3,4-d]pyrazole
CID 20186422
8-chloro-2-propan-2-yl-4H-thiochromeno[4,3-c]pyrazole
CID 20186423
8-chloro-1-methyl-4H-thiochromeno[3,4-d]pyrazole 5-oxide
CID 20186428

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole?
The IUPAC name of 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole (CID 2741314) is 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole.
What is the SMILES notation for 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole?
The canonical SMILES for 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole is Cn1cc2c(n1)-c1cc(Cl)ccc1SC2.
What is the InChIKey of 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole?
The InChIKey is GFVKZZMYMLKXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2S/c1-14-5-7-6-15-10-3-2-8(12)4-9(10)11(7)13-14/h2-5H,6H2,1H3.
What are the key properties of 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole?
8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole has a molecular weight of 236.73 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-4H-thiochromeno[4,3-c]pyrazole is sourced from PubChem (CID 2741314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).