5-benzhydrylsulfanyl-1-methyltetrazole

C15H14N4S — CID 673947

IUPAC5-benzhydrylsulfanyl-1-methyltetrazole
SMILESCn1nnnc1SC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N4S/c1-19-15(16-17-18-19)20-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3
InChIKeyZJKHJNAFZVENDX-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.09
Rot. Bonds4

About 5-benzhydrylsulfanyl-1-methyltetrazole

5-benzhydrylsulfanyl-1-methyltetrazole (PubChem CID 673947) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 5-benzhydrylsulfanyl-1-methyltetrazole.

Molecular Properties

Compound Name5-benzhydrylsulfanyl-1-methyltetrazole
PubChem CID673947
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name5-benzhydrylsulfanyl-1-methyltetrazole
SMILESCn1nnnc1SC(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N4S/c1-19-15(16-17-18-19)20-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3
InChIKeyZJKHJNAFZVENDX-UHFFFAOYSA-N
XLogP3.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.09
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
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
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-(benzylsulfanyl)-1-methyl-1H-tetrazole
CID 2141459
5-{[(4-fluoronaphthalen-1-yl)methyl]sulfanyl}-1-methyl-1H-tetrazole
CID 3755869
5-[1-(2-Chlorophenyl)ethylsulfanyl]-1-methyltetrazole
CID 16260361

Frequently Asked Questions

What is the IUPAC name of 5-benzhydrylsulfanyl-1-methyltetrazole?
The IUPAC name of 5-benzhydrylsulfanyl-1-methyltetrazole (CID 673947) is 5-benzhydrylsulfanyl-1-methyltetrazole.
What is the SMILES notation for 5-benzhydrylsulfanyl-1-methyltetrazole?
The canonical SMILES for 5-benzhydrylsulfanyl-1-methyltetrazole is Cn1nnnc1SC(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-benzhydrylsulfanyl-1-methyltetrazole?
The InChIKey is ZJKHJNAFZVENDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-19-15(16-17-18-19)20-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14H,1H3.
What are the key properties of 5-benzhydrylsulfanyl-1-methyltetrazole?
5-benzhydrylsulfanyl-1-methyltetrazole has a molecular weight of 282.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydrylsulfanyl-1-methyltetrazole is sourced from PubChem (CID 673947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).