2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid

C10H10N4O3S — CID 1132766

IUPAC2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
SMILESCOc1cccc(-n2nnnc2SCC(=O)O)c1
InChIInChI=1S/C10H10N4O3S/c1-17-8-4-2-3-7(5-8)14-10(11-12-13-14)18-6-9(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyGFADTXVSNAJZGI-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.85
Rot. Bonds5

About 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid

2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid (PubChem CID 1132766) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
PubChem CID1132766
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Name2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
SMILESCOc1cccc(-n2nnnc2SCC(=O)O)c1
InChIInChI=1S/C10H10N4O3S/c1-17-8-4-2-3-7(5-8)14-10(11-12-13-14)18-6-9(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyGFADTXVSNAJZGI-UHFFFAOYSA-N
XLogP0.85
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 1132797
1-(2,5-dimethoxyphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 649108
1-(4-fluorophenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 35396036
2-[1-(3-bromophenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070233
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 1075019
N-(3-acetylphenyl)-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 1075024
2-[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070392
2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 859389
N-(2,4-dimethoxyphenyl)-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16648829
2-[2-(3-methoxyphenyl)-5-methylpyrazol-3-yl]sulfanylacetic acid
CID 114798749
N-[3-chloro-4-(trifluoromethyl)phenyl]-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 6491229
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 16649127

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid (CID 1132766) is 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid is COc1cccc(-n2nnnc2SCC(=O)O)c1.
What is the InChIKey of 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is GFADTXVSNAJZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-17-8-4-2-3-7(5-8)14-10(11-12-13-14)18-6-9(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid?
2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 266.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 1132766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).