2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid

C10H10N4O2S — CID 2772552

IUPAC2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)O
InChIInChI=1S/C10H10N4O2S/c1-7(9(15)16)17-10-11-12-13-14(10)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16)
InChIKeyWYTWOGDSGKCFOU-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.23
Rot. Bonds4

About 2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid

2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid (PubChem CID 2772552) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
PubChem CID2772552
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)O
InChIInChI=1S/C10H10N4O2S/c1-7(9(15)16)17-10-11-12-13-14(10)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16)
InChIKeyWYTWOGDSGKCFOU-UHFFFAOYSA-N
XLogP1.23
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Stk291648
CID 4424052
3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid
CID 649116
[(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid
CID 675082
2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetohydrazide
CID 671673
ethyl N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]carbamate
CID 2172307
3-[(1-Phenyl-5-tetrazolyl)thio]-2-oxolanone
CID 2948751
3-(1-Phenyl-1,2,3,4-tetraazol-5-ylthio)pentane-2,4-dione
CID 2746016
Acetic acid, [(1-phenyl-1H-tetrazol-5-yl)thio]-, methyl ester
CID 793874
2-(1-Phenyltetrazol-5-yl)sulfanylacetamide
CID 716331
5-Ethylsulfonyl-1-phenyl-1H-tetrazole
CID 753662
Ethyl 2-(1-phenyltetrazol-5-yl)sulfanylacetate
CID 736914
2-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)thio)acetamide
CID 673050

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid (CID 2772552) is 2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid is CC(Sc1nnnn1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid?
The InChIKey is WYTWOGDSGKCFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-7(9(15)16)17-10-11-12-13-14(10)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16).
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid?
2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid has a molecular weight of 250.28 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid is sourced from PubChem (CID 2772552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).