2-(1-benzyltetrazol-5-yl)sulfanylacetic acid

C10H10N4O2S — CID 10800661

IUPAC2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C10H10N4O2S/c15-9(16)7-17-10-11-12-13-14(10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyZTTIFJBXELKJMC-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.90
Rot. Bonds5

About 2-(1-benzyltetrazol-5-yl)sulfanylacetic acid

2-(1-benzyltetrazol-5-yl)sulfanylacetic acid (PubChem CID 10800661) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
PubChem CID10800661
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1Cc1ccccc1
InChIInChI=1S/C10H10N4O2S/c15-9(16)7-17-10-11-12-13-14(10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyZTTIFJBXELKJMC-UHFFFAOYSA-N
XLogP0.90
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684
2-(1-benzyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 17392960
2-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070293
2-(1-benzyltetrazol-5-yl)sulfanyl-N-tert-butylacetamide
CID 51258381
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(2,6-dimethylphenyl)acetamide
CID 27135865
2-(1-benzyltetrazol-5-yl)sulfanyl-1-(2,4-dihydroxyphenyl)ethanone
CID 27136129
1-benzyl-5-(2-methylsulfonylethylsulfanyl)tetrazole
CID 47124187
2-(1-benzyltetrazol-5-yl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 27136248
2-(1-benzyltetrazol-5-yl)sulfanyl-N-ethyl-N-(2-methylphenyl)acetamide
CID 42041421
2-(1-benzyltetrazol-5-yl)sulfanyl-N-cyclohexyl-N-phenylacetamide
CID 9450800
2-(1-benzyltetrazol-5-yl)sulfanyl-N-[1-(4-bromophenyl)ethyl]acetamide
CID 46673009
2-[1-[(2-chloro-6-methoxyphenyl)methyl]tetrazol-5-yl]sulfanylacetic acid
CID 103293100

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanylacetic acid?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)sulfanylacetic acid (CID 10800661) is 2-(1-benzyltetrazol-5-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)sulfanylacetic acid?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)sulfanylacetic acid is O=C(O)CSc1nnnn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)sulfanylacetic acid?
The InChIKey is ZTTIFJBXELKJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c15-9(16)7-17-10-11-12-13-14(10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16).
What are the key properties of 2-(1-benzyltetrazol-5-yl)sulfanylacetic acid?
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid has a molecular weight of 250.28 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)sulfanylacetic acid is sourced from PubChem (CID 10800661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).