5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole

C6H10N4OS — CID 130639077

IUPAC5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
SMILESC1COC(CSc2nn[nH]n2)C1
InChIInChI=1S/C6H10N4OS/c1-2-5(11-3-1)4-12-6-7-9-10-8-6/h5H,1-4H2,(H,7,8,9,10)
InChIKeyFYSSDXWIKPEJAY-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.47
Rot. Bonds3

About 5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole

5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole (PubChem CID 130639077) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
PubChem CID130639077
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
SMILESC1COC(CSc2nn[nH]n2)C1
InChIInChI=1S/C6H10N4OS/c1-2-5(11-3-1)4-12-6-7-9-10-8-6/h5H,1-4H2,(H,7,8,9,10)
InChIKeyFYSSDXWIKPEJAY-UHFFFAOYSA-N
XLogP0.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 4257341
3-(oxolan-2-ylmethylsulfanyl)-1,2,4-thiadiazol-5-amine
CID 3671758
5-[3-(oxolan-2-yl)propyl]-2H-tetrazole
CID 65162584
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
4-chloro-N,N-dimethyl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106494848
6-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-amine
CID 106497698
3-[[(2R)-oxolan-2-yl]methylsulfanyl]-5-(thiophen-2-ylmethyl)-1H-1,2,4-triazole
CID 94192131
N-[(4-fluorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 40843550
4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
CID 95220434
2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 106496585
5-(4-chlorophenyl)-3-(oxan-2-ylmethylsulfanyl)-1H-1,2,4-triazole
CID 47096485
3-bromo-2-(oxolan-2-ylmethylsulfanyl)pyridine
CID 103678592

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole?
The IUPAC name of 5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole (CID 130639077) is 5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole.
What is the SMILES notation for 5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole?
The canonical SMILES for 5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole is C1COC(CSc2nn[nH]n2)C1.
What is the InChIKey of 5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole?
The InChIKey is FYSSDXWIKPEJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-2-5(11-3-1)4-12-6-7-9-10-8-6/h5H,1-4H2,(H,7,8,9,10).
What are the key properties of 5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole?
5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole has a molecular weight of 186.24 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole is sourced from PubChem (CID 130639077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).