(4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium

C18H22N5O2S+ — CID 7911362

IUPAC(4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)Cn2nnn(-c3ccc(OC)cc3)c2=S)cc1
InChIInChI=1S/C18H21N5O2S/c1-21(12-14-4-8-16(24-2)9-5-14)13-22-18(26)23(20-19-22)15-6-10-17(25-3)11-7-15/h4-11H,12-13H2,1-3H3/p+1
InChIKeyAPSDCIARJDYMCW-UHFFFAOYSA-O
MW372.47 g/mol
LogP1.49
Rot. Bonds7

About (4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium

(4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium (PubChem CID 7911362) has the molecular formula C18H22N5O2S+ and a molecular weight of 372.47 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium
PubChem CID7911362
Molecular FormulaC18H22N5O2S+
Molecular Weight372.47 g/mol
Exact Mass372.15
IUPAC Name(4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium
SMILESCOc1ccc(C[NH+](C)Cn2nnn(-c3ccc(OC)cc3)c2=S)cc1
InChIInChI=1S/C18H21N5O2S/c1-21(12-14-4-8-16(24-2)9-5-14)13-22-18(26)23(20-19-22)15-6-10-17(25-3)11-7-15/h4-11H,12-13H2,1-3H3/p+1
InChIKeyAPSDCIARJDYMCW-UHFFFAOYSA-O
XLogP1.49
TPSA58.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9323148
(3,4-dimethoxyphenyl)methyl-[[4-(3,4-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium
CID 9244586
1-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]-4-(4-methoxyphenyl)tetrazole-5-thione
CID 9281553
cyclopropyl-[[4-(3,5-dimethylphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-[(4-methoxyphenyl)methyl]azanium
CID 9281805
(5-chlorothiophen-2-yl)methyl-ethyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]azanium
CID 9171413
1-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-(4-methoxyphenyl)tetrazole-5-thione
CID 11925137
1-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(4-methoxyphenyl)tetrazole-5-thione
CID 2106072
1-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-4-phenyltetrazole-5-thione
CID 9325295
(4-methoxyphenyl)methyl-methyl-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]azanium
CID 7911386
1-(4-methoxyphenyl)-4-[[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]tetrazole-5-thione
CID 9321093
(3-benzyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9318529
1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one
CID 16579069

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium?
The IUPAC name of (4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium (CID 7911362) is (4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium?
The canonical SMILES for (4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium is COc1ccc(C[NH+](C)Cn2nnn(-c3ccc(OC)cc3)c2=S)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium?
The InChIKey is APSDCIARJDYMCW-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21N5O2S/c1-21(12-14-4-8-16(24-2)9-5-14)13-22-18(26)23(20-19-22)15-6-10-17(25-3)11-7-15/h4-11H,12-13H2,1-3H3/p+1.
What are the key properties of (4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium?
(4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium has a molecular weight of 372.47 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-[[4-(4-methoxyphenyl)-5-sulfanylidenetetrazol-1-yl]methyl]-methylazanium is sourced from PubChem (CID 7911362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).