5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole

C10H14N4OS2 — CID 13061957

IUPAC5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole
SMILESCn1nnnc1SCCCSCc1ccco1
InChIInChI=1S/C10H14N4OS2/c1-14-10(11-12-13-14)17-7-3-6-16-8-9-4-2-5-15-9/h2,4-5H,3,6-8H2,1H3
InChIKeyVQYVUFHSVHZOJP-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.22
Rot. Bonds7

About 5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole

5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole (PubChem CID 13061957) has the molecular formula C10H14N4OS2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole.

Molecular Properties

Compound Name5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole
PubChem CID13061957
Molecular FormulaC10H14N4OS2
Molecular Weight270.38 g/mol
Exact Mass270.06
IUPAC Name5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole
SMILESCn1nnnc1SCCCSCc1ccco1
InChIInChI=1S/C10H14N4OS2/c1-14-10(11-12-13-14)17-7-3-6-16-8-9-4-2-5-15-9/h2,4-5H,3,6-8H2,1H3
InChIKeyVQYVUFHSVHZOJP-UHFFFAOYSA-N
XLogP2.22
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole?
The IUPAC name of 5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole (CID 13061957) is 5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole.
What is the SMILES notation for 5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole?
The canonical SMILES for 5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole is Cn1nnnc1SCCCSCc1ccco1.
What is the InChIKey of 5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole?
The InChIKey is VQYVUFHSVHZOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS2/c1-14-10(11-12-13-14)17-7-3-6-16-8-9-4-2-5-15-9/h2,4-5H,3,6-8H2,1H3.
What are the key properties of 5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole?
5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole has a molecular weight of 270.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(furan-2-ylmethylsulfanyl)propylsulfanyl]-1-methyltetrazole is sourced from PubChem (CID 13061957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).