5-(1-benzylsulfanylethyl)-2H-tetrazole

C10H12N4S — CID 174272780

IUPAC5-(1-benzylsulfanylethyl)-2H-tetrazole
SMILESCC(SCc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C10H12N4S/c1-8(10-11-13-14-12-10)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12,13,14)
InChIKeyLHYFRLGNINLVNX-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.19
Rot. Bonds4

About 5-(1-benzylsulfanylethyl)-2H-tetrazole

5-(1-benzylsulfanylethyl)-2H-tetrazole (PubChem CID 174272780) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-(1-benzylsulfanylethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(1-benzylsulfanylethyl)-2H-tetrazole
PubChem CID174272780
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5-(1-benzylsulfanylethyl)-2H-tetrazole
SMILESCC(SCc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C10H12N4S/c1-8(10-11-13-14-12-10)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12,13,14)
InChIKeyLHYFRLGNINLVNX-UHFFFAOYSA-N
XLogP2.19
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfanyl-2-(2H-tetrazol-5-yl)acetonitrile
CID 123996011
N-[2-phenyl-1-(2H-tetrazol-5-yl)ethyl]propan-2-amine
CID 123160214
ethane;5-(1-methoxy-2-phenylethyl)-2H-tetrazole
CID 178128816
1-phenyl-N-[1-(2H-tetrazol-5-yl)ethyl]butan-2-amine
CID 79007809
4-methylpentan-2-ylsulfanylmethylbenzene
CID 118343527
(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499935
(1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol
CID 124566909
5-[1-(4-phenylphenoxy)ethyl]-2H-tetrazole
CID 123240955
2-(1-benzylsulfanylethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 78807783
3-(1-benzylsulfanylethyl)aniline
CID 61263874
(1-benzylsulfanyl-2-methylpropyl)benzene
CID 13107886
ethane;5-[(2S)-1-(4-phenylphenyl)propan-2-yl]-2H-tetrazole;(1S)-2-(4-phenylphenyl)-1-(2H-tetrazol-5-yl)ethanamine
CID 158292765

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylsulfanylethyl)-2H-tetrazole?
The IUPAC name of 5-(1-benzylsulfanylethyl)-2H-tetrazole (CID 174272780) is 5-(1-benzylsulfanylethyl)-2H-tetrazole.
What is the SMILES notation for 5-(1-benzylsulfanylethyl)-2H-tetrazole?
The canonical SMILES for 5-(1-benzylsulfanylethyl)-2H-tetrazole is CC(SCc1ccccc1)c1nn[nH]n1.
What is the InChIKey of 5-(1-benzylsulfanylethyl)-2H-tetrazole?
The InChIKey is LHYFRLGNINLVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-8(10-11-13-14-12-10)15-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12,13,14).
What are the key properties of 5-(1-benzylsulfanylethyl)-2H-tetrazole?
5-(1-benzylsulfanylethyl)-2H-tetrazole has a molecular weight of 220.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylsulfanylethyl)-2H-tetrazole is sourced from PubChem (CID 174272780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).