ethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate

C6H10N4O2S — CID 19643926

IUPACethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nnnn1C
InChIInChI=1S/C6H10N4O2S/c1-3-12-5(11)4-13-6-7-8-9-10(6)2/h3-4H2,1-2H3
InChIKeyQPJCUPGRQGPKHN-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.13
Rot. Bonds4

About ethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate

ethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate (PubChem CID 19643926) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is ethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate
PubChem CID19643926
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Nameethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nnnn1C
InChIInChI=1S/C6H10N4O2S/c1-3-12-5(11)4-13-6-7-8-9-10(6)2/h3-4H2,1-2H3
InChIKeyQPJCUPGRQGPKHN-UHFFFAOYSA-N
XLogP-0.13
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate (CID 19643926) is ethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate is CCOC(=O)CSc1nnnn1C.
What is the InChIKey of ethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate?
The InChIKey is QPJCUPGRQGPKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-3-12-5(11)4-13-6-7-8-9-10(6)2/h3-4H2,1-2H3.
What are the key properties of ethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate?
ethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate has a molecular weight of 202.24 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methyltetrazol-5-yl)sulfanylacetate is sourced from PubChem (CID 19643926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).