benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium

C17H19ClN5S+ — CID 9243081

IUPACbenzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium
SMILESCC[NH+](Cc1ccccc1)Cn1nnn(-c2cccc(Cl)c2)c1=S
InChIInChI=1S/C17H18ClN5S/c1-2-21(12-14-7-4-3-5-8-14)13-22-17(24)23(20-19-22)16-10-6-9-15(18)11-16/h3-11H,2,12-13H2,1H3/p+1
InChIKeyHBVPESXRMVQSEQ-UHFFFAOYSA-O
MW360.89 g/mol
LogP2.51
Rot. Bonds6

About benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium

benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium (PubChem CID 9243081) has the molecular formula C17H19ClN5S+ and a molecular weight of 360.89 g/mol. Its IUPAC name is benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium.

Molecular Properties

Compound Namebenzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium
PubChem CID9243081
Molecular FormulaC17H19ClN5S+
Molecular Weight360.89 g/mol
Exact Mass360.10
IUPAC Namebenzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium
SMILESCC[NH+](Cc1ccccc1)Cn1nnn(-c2cccc(Cl)c2)c1=S
InChIInChI=1S/C17H18ClN5S/c1-2-21(12-14-7-4-3-5-8-14)13-22-17(24)23(20-19-22)16-10-6-9-15(18)11-16/h3-11H,2,12-13H2,1H3/p+1
InChIKeyHBVPESXRMVQSEQ-UHFFFAOYSA-O
XLogP2.51
TPSA40.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chlorothiophen-2-yl)methyl-ethyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]azanium
CID 9171392
1-benzyl-4-(4-chlorophenyl)tetrazole-5-thione
CID 71397789
ethyl (3R)-1-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]piperidin-1-ium-3-carboxylate
CID 9242969
1-(3-chlorophenyl)-4-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]tetrazole-5-thione
CID 9244747
5-benzyl-1-(3-chlorophenyl)triazole-4-carbonitrile
CID 82200377
(4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium
CID 7911362
cyclopropyl-[[4-(3,5-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-[(4-methoxyphenyl)methyl]azanium
CID 9281805
5-benzyl-3-(3-chlorophenyl)-N,N-dipropyltriazol-4-amine
CID 164681831
6-benzyl-1-(3-chlorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846308
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 9195387
2-benzyl-4-(3-chlorophenyl)-5-methyl-1,2,4-triazol-3-one
CID 3772206
(5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium
CID 9332981

Frequently Asked Questions

What is the IUPAC name of benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium?
The IUPAC name of benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium (CID 9243081) is benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium.
What is the SMILES notation for benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium?
The canonical SMILES for benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium is CC[NH+](Cc1ccccc1)Cn1nnn(-c2cccc(Cl)c2)c1=S.
What is the InChIKey of benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium?
The InChIKey is HBVPESXRMVQSEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18ClN5S/c1-2-21(12-14-7-4-3-5-8-14)13-22-17(24)23(20-19-22)16-10-6-9-15(18)11-16/h3-11H,2,12-13H2,1H3/p+1.
What are the key properties of benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium?
benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium has a molecular weight of 360.89 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[[4-(3-chlorophenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-ethylazanium is sourced from PubChem (CID 9243081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).