2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol

C11H14N4O2S — CID 60550847

IUPAC2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol
SMILESOCCOCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C11H14N4O2S/c16-6-7-17-8-9-18-11-12-13-14-15(11)10-4-2-1-3-5-10/h1-5,16H,6-9H2
InChIKeyNEQCKSZKZGVAFI-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.76
Rot. Bonds7

About 2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol

2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol (PubChem CID 60550847) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol
PubChem CID60550847
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol
SMILESOCCOCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C11H14N4O2S/c16-6-7-17-8-9-18-11-12-13-14-15(11)10-4-2-1-3-5-10/h1-5,16H,6-9H2
InChIKeyNEQCKSZKZGVAFI-UHFFFAOYSA-N
XLogP0.76
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole
CID 47095844
4-(1-phenyltetrazol-5-yl)sulfanylbut-2-yn-1-ol
CID 15944365
4-[5-[2-(2,2,2-trifluoroethoxy)ethylsulfanyl]tetrazol-1-yl]phenol
CID 60912121
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
1-(2-hydroxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 18731404
N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 18731478
N-(2-methoxyethyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 62578744
tert-butyl 3-(1-phenyltetrazol-5-yl)sulfanylpropanoate
CID 115580444
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
4-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]aniline
CID 43519808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol?
The IUPAC name of 2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol (CID 60550847) is 2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol.
What is the SMILES notation for 2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol?
The canonical SMILES for 2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol is OCCOCCSc1nnnn1-c1ccccc1.
What is the InChIKey of 2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol?
The InChIKey is NEQCKSZKZGVAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c16-6-7-17-8-9-18-11-12-13-14-15(11)10-4-2-1-3-5-10/h1-5,16H,6-9H2.
What are the key properties of 2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol?
2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol has a molecular weight of 266.33 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol is sourced from PubChem (CID 60550847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).