methyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate

C6H10N4O2S — CID 28834434

IUPACmethyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate
SMILESCOC(=O)CCSc1nnnn1C
InChIInChI=1S/C6H10N4O2S/c1-10-6(7-8-9-10)13-4-3-5(11)12-2/h3-4H2,1-2H3
InChIKeyRGRNPUDPZQLRKP-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.13
Rot. Bonds4

About methyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate

methyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate (PubChem CID 28834434) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is methyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate
PubChem CID28834434
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Namemethyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate
SMILESCOC(=O)CCSc1nnnn1C
InChIInChI=1S/C6H10N4O2S/c1-10-6(7-8-9-10)13-4-3-5(11)12-2/h3-4H2,1-2H3
InChIKeyRGRNPUDPZQLRKP-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 methyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate?
The IUPAC name of methyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate (CID 28834434) is methyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate.
What is the SMILES notation for methyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate?
The canonical SMILES for methyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate is COC(=O)CCSc1nnnn1C.
What is the InChIKey of methyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate?
The InChIKey is RGRNPUDPZQLRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-10-6(7-8-9-10)13-4-3-5(11)12-2/h3-4H2,1-2H3.
What are the key properties of methyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate?
methyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate 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 methyl 3-(1-methyltetrazol-5-yl)sulfanylpropanoate is sourced from PubChem (CID 28834434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).