5-benzylsulfanyl-1-methyltetrazole

C9H10N4S — CID 2141459

IUPAC5-benzylsulfanyl-1-methyltetrazole
SMILESCn1nnnc1SCc1ccccc1
InChIInChI=1S/C9H10N4S/c1-13-9(10-11-12-13)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyJEKXHNRBOABNHM-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.50
Rot. Bonds3

About 5-benzylsulfanyl-1-methyltetrazole

5-benzylsulfanyl-1-methyltetrazole (PubChem CID 2141459) has the molecular formula C9H10N4S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-benzylsulfanyl-1-methyltetrazole.

Molecular Properties

Compound Name5-benzylsulfanyl-1-methyltetrazole
PubChem CID2141459
Molecular FormulaC9H10N4S
Molecular Weight206.27 g/mol
Exact Mass206.06
IUPAC Name5-benzylsulfanyl-1-methyltetrazole
SMILESCn1nnnc1SCc1ccccc1
InChIInChI=1S/C9H10N4S/c1-13-9(10-11-12-13)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKeyJEKXHNRBOABNHM-UHFFFAOYSA-N
XLogP1.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-5-(naphthylmethylthio)-1,2,3,4-tetraazole
CID 2630172
3-(benzylsulfanyl)-4-methyl-4H-1,2,4-triazole
CID 780423
3-[(2-Methylbenzyl)sulfanyl]-4h-1,2,4-Triazol-4-Amine
CID 731925
5-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-tetrazole
CID 2266188
5-[(4-Chlorophenyl)methylsulfanyl]-1-methyltetrazole
CID 2141460
Tetrazole, 5-(2,6-difluorobenzylthio)-1-methyl-
CID 581253
1-methyl-5-[(4-{[(1-methyl-1H-tetraazol-5-yl)sulfanyl]methyl}benzyl)sulfanyl]-1H-tetraazole
CID 2194106
1-Methyl-5-(4-methyl-benzylsulfanyl)-1H-tetrazole
CID 647032
N-(2-((1-methyl-1H-tetrazol-5-yl)thio)ethyl)-3-phenylprop-2-yn-1-amine hydrochloride
CID 2978940
5-(2-Fluoro-benzylsulfanyl)-1-methyl-1H-tetrazole
CID 656320
(E)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-3-phenylprop-2-en-1-amine
CID 1817779
5-[(1,1-dioxido-1-benzothiophen-3-yl)sulfanyl]-1-methyl-1H-tetrazole
CID 16763739

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanyl-1-methyltetrazole?
The IUPAC name of 5-benzylsulfanyl-1-methyltetrazole (CID 2141459) is 5-benzylsulfanyl-1-methyltetrazole.
What is the SMILES notation for 5-benzylsulfanyl-1-methyltetrazole?
The canonical SMILES for 5-benzylsulfanyl-1-methyltetrazole is Cn1nnnc1SCc1ccccc1.
What is the InChIKey of 5-benzylsulfanyl-1-methyltetrazole?
The InChIKey is JEKXHNRBOABNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S/c1-13-9(10-11-12-13)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3.
What are the key properties of 5-benzylsulfanyl-1-methyltetrazole?
5-benzylsulfanyl-1-methyltetrazole has a molecular weight of 206.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanyl-1-methyltetrazole is sourced from PubChem (CID 2141459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).