ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate

C17H22N2O2S2 — CID 70031057

IUPACethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate
SMILESCCCSc1sc(C(=O)OCC)c2c1-c1c(cnn1CC)CC2
InChIInChI=1S/C17H22N2O2S2/c1-4-9-22-17-13-12(15(23-17)16(20)21-6-3)8-7-11-10-18-19(5-2)14(11)13/h10H,4-9H2,1-3H3
InChIKeyRBLUAESBDWWTGZ-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.41
Rot. Bonds6

About ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate

ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate (PubChem CID 70031057) has the molecular formula C17H22N2O2S2 and a molecular weight of 350.51 g/mol. Its IUPAC name is ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate
PubChem CID70031057
Molecular FormulaC17H22N2O2S2
Molecular Weight350.51 g/mol
Exact Mass350.11
IUPAC Nameethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate
SMILESCCCSc1sc(C(=O)OCC)c2c1-c1c(cnn1CC)CC2
InChIInChI=1S/C17H22N2O2S2/c1-4-9-22-17-13-12(15(23-17)16(20)21-6-3)8-7-11-10-18-19(5-2)14(11)13/h10H,4-9H2,1-3H3
InChIKeyRBLUAESBDWWTGZ-UHFFFAOYSA-N
XLogP4.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate?
The IUPAC name of ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate (CID 70031057) is ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate?
The canonical SMILES for ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate is CCCSc1sc(C(=O)OCC)c2c1-c1c(cnn1CC)CC2.
What is the InChIKey of ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate?
The InChIKey is RBLUAESBDWWTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S2/c1-4-9-22-17-13-12(15(23-17)16(20)21-6-3)8-7-11-10-18-19(5-2)14(11)13/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate?
ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate has a molecular weight of 350.51 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-8-propylsulfanyl-4,5-dihydrothieno[3,4-g]indazole-6-carboxylate is sourced from PubChem (CID 70031057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).