5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole

C12H10N2S2 — CID 3777744

IUPAC5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole
SMILESCSc1cc(-c2csc3ccccc23)[nH]n1
InChIInChI=1S/C12H10N2S2/c1-15-12-6-10(13-14-12)9-7-16-11-5-3-2-4-8(9)11/h2-7H,1H3,(H,13,14)
InChIKeyAHDGUUQJFOJARF-UHFFFAOYSA-N
MW246.36 g/mol
LogP4.01
Rot. Bonds2

About 5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole

5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole (PubChem CID 3777744) has the molecular formula C12H10N2S2 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole
PubChem CID3777744
Molecular FormulaC12H10N2S2
Molecular Weight246.36 g/mol
Exact Mass246.03
IUPAC Name5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole
SMILESCSc1cc(-c2csc3ccccc23)[nH]n1
InChIInChI=1S/C12H10N2S2/c1-15-12-6-10(13-14-12)9-7-16-11-5-3-2-4-8(9)11/h2-7H,1H3,(H,13,14)
InChIKeyAHDGUUQJFOJARF-UHFFFAOYSA-N
XLogP4.01
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole?
The IUPAC name of 5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole (CID 3777744) is 5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole is CSc1cc(-c2csc3ccccc23)[nH]n1.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole?
The InChIKey is AHDGUUQJFOJARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2S2/c1-15-12-6-10(13-14-12)9-7-16-11-5-3-2-4-8(9)11/h2-7H,1H3,(H,13,14).
What are the key properties of 5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole?
5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole has a molecular weight of 246.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-3-methylsulfanyl-1H-pyrazole is sourced from PubChem (CID 3777744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).