1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole

C15H13N5O3S — CID 26576878

IUPAC1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole
SMILESCOc1ccccc1-n1nnnc1SCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N5O3S/c1-23-14-9-5-4-8-13(14)19-15(16-17-18-19)24-10-11-6-2-3-7-12(11)20(21)22/h2-9H,10H2,1H3
InChIKeyFOWIMFYJBOXOPC-UHFFFAOYSA-N
MW343.37 g/mol
LogP2.87
Rot. Bonds6

About 1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole

1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole (PubChem CID 26576878) has the molecular formula C15H13N5O3S and a molecular weight of 343.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole
PubChem CID26576878
Molecular FormulaC15H13N5O3S
Molecular Weight343.37 g/mol
Exact Mass343.07
IUPAC Name1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole
SMILESCOc1ccccc1-n1nnnc1SCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H13N5O3S/c1-23-14-9-5-4-8-13(14)19-15(16-17-18-19)24-10-11-6-2-3-7-12(11)20(21)22/h2-9H,10H2,1H3
InChIKeyFOWIMFYJBOXOPC-UHFFFAOYSA-N
XLogP2.87
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-[(2-nitrophenyl)methylsulfanyl]tetrazole
CID 900999
5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647181
1-tert-butyl-5-[(2-nitrophenyl)methylsulfanyl]tetrazole
CID 35189833
1-(2-methoxyphenyl)-5-(3-methylsulfanylpropylsulfanyl)tetrazole
CID 56795434
N-(2,6-diethylphenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 997307
5-[(2,4-dinitrophenyl)methylsulfanyl]-1-(3-nitrophenyl)tetrazole
CID 90683121
5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 8944164
1-(2,6-dimethylphenyl)-5-[(2-methoxy-5-nitrophenyl)methylsulfanyl]tetrazole
CID 26650225
5-[[(1S)-2,2-dichlorocyclopropyl]methylsulfanyl]-1-(2-methoxyphenyl)tetrazole
CID 41075430
1-(4-chlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 3537880
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 16536113
4-[[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 16554841

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole (CID 26576878) is 1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole is COc1ccccc1-n1nnnc1SCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole?
The InChIKey is FOWIMFYJBOXOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S/c1-23-14-9-5-4-8-13(14)19-15(16-17-18-19)24-10-11-6-2-3-7-12(11)20(21)22/h2-9H,10H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole?
1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole has a molecular weight of 343.37 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-[(2-nitrophenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 26576878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).