1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole

C12H16N4OS2 — CID 56795434

IUPAC1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole
SMILESCOc1ccccc1-n1nnnc1SCCCSC
InChIInChI=1S/C12H16N4OS2/c1-17-11-7-4-3-6-10(11)16-12(13-14-15-16)19-9-5-8-18-2/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyICAABBOVXOVPMD-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.52
Rot. Bonds7

About 1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole

1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole (PubChem CID 56795434) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole
PubChem CID56795434
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole
SMILESCOc1ccccc1-n1nnnc1SCCCSC
InChIInChI=1S/C12H16N4OS2/c1-17-11-7-4-3-6-10(11)16-12(13-14-15-16)19-9-5-8-18-2/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyICAABBOVXOVPMD-UHFFFAOYSA-N
XLogP2.52
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-1-(2-methoxyphenyl)tetrazole
CID 41075430
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 16536113
1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole
CID 26576878
3-[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-benzoxazol-2-one
CID 33277715
4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 16554841
1-(4-chlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 3537880
5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647181
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(6-methylheptan-2-yl)acetamide
CID 51215442
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 7455398
N-benzyl-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methylacetamide
CID 18077306
N-(4-fluorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 3587799
N-(1,3-benzodioxol-5-yl)-3-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 46403936

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole?
The IUPAC name of 1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole (CID 56795434) is 1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole?
The canonical SMILES for 1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole is COc1ccccc1-n1nnnc1SCCCSC.
What is the InChIKey of 1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole?
The InChIKey is ICAABBOVXOVPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-17-11-7-4-3-6-10(11)16-12(13-14-15-16)19-9-5-8-18-2/h3-4,6-7H,5,8-9H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole?
1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole has a molecular weight of 296.42 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole is sourced from PubChem (CID 56795434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).