methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate

C11H12N4O3S — CID 18464638

IUPACmethyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate
SMILESCOC(=O)c1cc(-n2nnnc2SC)ccc1OC
InChIInChI=1S/C11H12N4O3S/c1-17-9-5-4-7(6-8(9)10(16)18-2)15-11(19-3)12-13-14-15/h4-6H,1-3H3
InChIKeyVBRSWYDXGWMTMZ-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.18
Rot. Bonds4

About methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate

methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate (PubChem CID 18464638) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate
PubChem CID18464638
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC Namemethyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate
SMILESCOC(=O)c1cc(-n2nnnc2SC)ccc1OC
InChIInChI=1S/C11H12N4O3S/c1-17-9-5-4-7(6-8(9)10(16)18-2)15-11(19-3)12-13-14-15/h4-6H,1-3H3
InChIKeyVBRSWYDXGWMTMZ-UHFFFAOYSA-N
XLogP1.18
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-methoxy-5-(5-methylsulfonyltetrazol-1-yl)benzoate
CID 18464688
methyl 2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]benzoate
CID 18464579
1-(2-methoxy-5-methylphenyl)-5-methylsulfanyltetrazole
CID 8897883
4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid
CID 55603694
1-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 649108
2-[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070392
methyl 4-[5-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate
CID 1175411
2-bromo-5-methoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39127304
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 1175605
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 1175592
1-(5-fluoro-2-methoxyphenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7561633
N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2616969

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate?
The IUPAC name of methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate (CID 18464638) is methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate.
What is the SMILES notation for methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate?
The canonical SMILES for methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate is COC(=O)c1cc(-n2nnnc2SC)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate?
The InChIKey is VBRSWYDXGWMTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-17-9-5-4-7(6-8(9)10(16)18-2)15-11(19-3)12-13-14-15/h4-6H,1-3H3.
What are the key properties of methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate?
methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate has a molecular weight of 280.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-(5-methylsulfanyltetrazol-1-yl)benzoate is sourced from PubChem (CID 18464638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).