1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone

C12H14N4OS — CID 3212926

IUPAC1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone
SMILESCCCn1nnnc1SCC(=O)c1ccccc1
InChIInChI=1S/C12H14N4OS/c1-2-8-16-12(13-14-15-16)18-9-11(17)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyMFOWTPCEUCXUCI-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.06
Rot. Bonds6

About 1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone

1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone (PubChem CID 3212926) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone.

Molecular Properties

Compound Name1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone
PubChem CID3212926
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone
SMILESCCCn1nnnc1SCC(=O)c1ccccc1
InChIInChI=1S/C12H14N4OS/c1-2-8-16-12(13-14-15-16)18-9-11(17)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyMFOWTPCEUCXUCI-UHFFFAOYSA-N
XLogP2.06
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The IUPAC name of 1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone (CID 3212926) is 1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone.
What is the SMILES notation for 1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The canonical SMILES for 1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone is CCCn1nnnc1SCC(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone?
The InChIKey is MFOWTPCEUCXUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-8-16-12(13-14-15-16)18-9-11(17)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of 1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone?
1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone has a molecular weight of 262.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(1-propyltetrazol-5-yl)sulfanylethanone is sourced from PubChem (CID 3212926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).