1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol

C16H18N4O2S2 — CID 42886752

IUPAC1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol
SMILESOC(COc1ccccc1)CSc1nnnn1CCc1cccs1
InChIInChI=1S/C16H18N4O2S2/c21-13(11-22-14-5-2-1-3-6-14)12-24-16-17-18-19-20(16)9-8-15-7-4-10-23-15/h1-7,10,13,21H,8-9,11-12H2
InChIKeySFXOJNQMZUKQEM-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.51
Rot. Bonds9

About 1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol

1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol (PubChem CID 42886752) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol
PubChem CID42886752
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC Name1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol
SMILESOC(COc1ccccc1)CSc1nnnn1CCc1cccs1
InChIInChI=1S/C16H18N4O2S2/c21-13(11-22-14-5-2-1-3-6-14)12-24-16-17-18-19-20(16)9-8-15-7-4-10-23-15/h1-7,10,13,21H,8-9,11-12H2
InChIKeySFXOJNQMZUKQEM-UHFFFAOYSA-N
XLogP2.51
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol?
The IUPAC name of 1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol (CID 42886752) is 1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol?
The canonical SMILES for 1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol is OC(COc1ccccc1)CSc1nnnn1CCc1cccs1.
What is the InChIKey of 1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol?
The InChIKey is SFXOJNQMZUKQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c21-13(11-22-14-5-2-1-3-6-14)12-24-16-17-18-19-20(16)9-8-15-7-4-10-23-15/h1-7,10,13,21H,8-9,11-12H2.
What are the key properties of 1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol?
1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol has a molecular weight of 362.48 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylpropan-2-ol is sourced from PubChem (CID 42886752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).