8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole

C10H7ClN2S — CID 2739678

IUPAC8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole
SMILESClc1ccc2c(c1)-c1[nH]ncc1CS2
InChIInChI=1S/C10H7ClN2S/c11-7-1-2-9-8(3-7)10-6(5-14-9)4-12-13-10/h1-4H,5H2,(H,12,13)
InChIKeyRQRFXLOZMGZIBS-UHFFFAOYSA-N
MW222.70 g/mol
LogP3.34
Rot. Bonds

About 8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole

8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole (PubChem CID 2739678) has the molecular formula C10H7ClN2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole
PubChem CID2739678
Molecular FormulaC10H7ClN2S
Molecular Weight222.70 g/mol
Exact Mass222.00
IUPAC Name8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole
SMILESClc1ccc2c(c1)-c1[nH]ncc1CS2
InChIInChI=1S/C10H7ClN2S/c11-7-1-2-9-8(3-7)10-6(5-14-9)4-12-13-10/h1-4H,5H2,(H,12,13)
InChIKeyRQRFXLOZMGZIBS-UHFFFAOYSA-N
XLogP3.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole?
The IUPAC name of 8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole (CID 2739678) is 8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole.
What is the SMILES notation for 8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole?
The canonical SMILES for 8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole is Clc1ccc2c(c1)-c1[nH]ncc1CS2.
What is the InChIKey of 8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole?
The InChIKey is RQRFXLOZMGZIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2S/c11-7-1-2-9-8(3-7)10-6(5-14-9)4-12-13-10/h1-4H,5H2,(H,12,13).
What are the key properties of 8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole?
8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole has a molecular weight of 222.70 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1,4-dihydrothiochromeno[3,4-d]pyrazole is sourced from PubChem (CID 2739678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).