1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole

C7H8N4OS — CID 54033973

IUPAC1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole
SMILESCSc1occc1-c1nnnn1C
InChIInChI=1S/C7H8N4OS/c1-11-6(8-9-10-11)5-3-4-12-7(5)13-2/h3-4H,1-2H3
InChIKeyLHPOHFVYZRDZIW-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.19
Rot. Bonds2

About 1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole

1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole (PubChem CID 54033973) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole.

Molecular Properties

Compound Name1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole
PubChem CID54033973
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole
SMILESCSc1occc1-c1nnnn1C
InChIInChI=1S/C7H8N4OS/c1-11-6(8-9-10-11)5-3-4-12-7(5)13-2/h3-4H,1-2H3
InChIKeyLHPOHFVYZRDZIW-UHFFFAOYSA-N
XLogP1.19
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole?
The IUPAC name of 1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole (CID 54033973) is 1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole.
What is the SMILES notation for 1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole?
The canonical SMILES for 1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole is CSc1occc1-c1nnnn1C.
What is the InChIKey of 1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole?
The InChIKey is LHPOHFVYZRDZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-11-6(8-9-10-11)5-3-4-12-7(5)13-2/h3-4H,1-2H3.
What are the key properties of 1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole?
1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole has a molecular weight of 196.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylsulfanylfuran-3-yl)tetrazole is sourced from PubChem (CID 54033973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).