1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole

C12H16N4OS — CID 47095844

IUPAC1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole
SMILESCC(C)OCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C12H16N4OS/c1-10(2)17-8-9-18-12-13-14-15-16(12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyIKVDCLDGDTUJBO-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.18
Rot. Bonds6

About 1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole

1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole (PubChem CID 47095844) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole
PubChem CID47095844
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole
SMILESCC(C)OCCSc1nnnn1-c1ccccc1
InChIInChI=1S/C12H16N4OS/c1-10(2)17-8-9-18-12-13-14-15-16(12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKeyIKVDCLDGDTUJBO-UHFFFAOYSA-N
XLogP2.18
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-phenyltetrazol-5-yl)sulfanylethoxy]ethanol
CID 60550847
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
2-ethoxy-4-(1-phenyltetrazol-5-yl)sulfanylbutanoic acid
CID 63098592
3-methyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]butan-2-amine
CID 62577666
5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
N-(2-methoxyethyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 62578744
5-(1-phenyltetrazol-5-yl)sulfanylpentanenitrile
CID 60625385
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
2-ethoxy-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-amine
CID 63071022
ethyl 2-amino-4-(1-phenyltetrazol-5-yl)sulfanylbutanoate
CID 63035562
5-[(2R)-2-methyl-4-phenylmethoxybutyl]sulfanyl-1-phenyltetrazole
CID 71733763
1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 17449592

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole?
The IUPAC name of 1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole (CID 47095844) is 1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole.
What is the SMILES notation for 1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole?
The canonical SMILES for 1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole is CC(C)OCCSc1nnnn1-c1ccccc1.
What is the InChIKey of 1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole?
The InChIKey is IKVDCLDGDTUJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-10(2)17-8-9-18-12-13-14-15-16(12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3.
What are the key properties of 1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole?
1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole has a molecular weight of 264.35 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole is sourced from PubChem (CID 47095844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).