4,5-dihydro-1H-thieno[2,3-g]indazole

C9H8N2S — CID 13452859

IUPAC4,5-dihydro-1H-thieno[2,3-g]indazole
SMILESc1cc2c(s1)CCc1cn[nH]c1-2
InChIInChI=1S/C9H8N2S/c1-2-8-7(3-4-12-8)9-6(1)5-10-11-9/h3-5H,1-2H2,(H,10,11)
InChIKeyDKVMJCMHPQSNGP-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.24
Rot. Bonds

About 4,5-dihydro-1H-thieno[2,3-g]indazole

4,5-dihydro-1H-thieno[2,3-g]indazole (PubChem CID 13452859) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 4,5-dihydro-1H-thieno[2,3-g]indazole.

Molecular Properties

Compound Name4,5-dihydro-1H-thieno[2,3-g]indazole
PubChem CID13452859
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name4,5-dihydro-1H-thieno[2,3-g]indazole
SMILESc1cc2c(s1)CCc1cn[nH]c1-2
InChIInChI=1S/C9H8N2S/c1-2-8-7(3-4-12-8)9-6(1)5-10-11-9/h3-5H,1-2H2,(H,10,11)
InChIKeyDKVMJCMHPQSNGP-UHFFFAOYSA-N
XLogP2.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-thieno[2,3-g]indazole?
The IUPAC name of 4,5-dihydro-1H-thieno[2,3-g]indazole (CID 13452859) is 4,5-dihydro-1H-thieno[2,3-g]indazole.
What is the SMILES notation for 4,5-dihydro-1H-thieno[2,3-g]indazole?
The canonical SMILES for 4,5-dihydro-1H-thieno[2,3-g]indazole is c1cc2c(s1)CCc1cn[nH]c1-2.
What is the InChIKey of 4,5-dihydro-1H-thieno[2,3-g]indazole?
The InChIKey is DKVMJCMHPQSNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-2-8-7(3-4-12-8)9-6(1)5-10-11-9/h3-5H,1-2H2,(H,10,11).
What are the key properties of 4,5-dihydro-1H-thieno[2,3-g]indazole?
4,5-dihydro-1H-thieno[2,3-g]indazole has a molecular weight of 176.24 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-thieno[2,3-g]indazole is sourced from PubChem (CID 13452859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).