1-(1-methyltetrazol-5-yl)propane-1-thiol

C5H10N4S — CID 57258761

IUPAC1-(1-methyltetrazol-5-yl)propane-1-thiol
SMILESCCC(S)c1nnnn1C
InChIInChI=1S/C5H10N4S/c1-3-4(10)5-6-7-8-9(5)2/h4,10H,3H2,1-2H3
InChIKeyHDZAGZUQMZVDHG-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.59
Rot. Bonds2

About 1-(1-methyltetrazol-5-yl)propane-1-thiol

1-(1-methyltetrazol-5-yl)propane-1-thiol (PubChem CID 57258761) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)propane-1-thiol.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)propane-1-thiol
PubChem CID57258761
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC Name1-(1-methyltetrazol-5-yl)propane-1-thiol
SMILESCCC(S)c1nnnn1C
InChIInChI=1S/C5H10N4S/c1-3-4(10)5-6-7-8-9(5)2/h4,10H,3H2,1-2H3
InChIKeyHDZAGZUQMZVDHG-UHFFFAOYSA-N
XLogP0.59
TPSA43.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltetrazol-5-yl)propane-1-thiol?
The IUPAC name of 1-(1-methyltetrazol-5-yl)propane-1-thiol (CID 57258761) is 1-(1-methyltetrazol-5-yl)propane-1-thiol.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)propane-1-thiol?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)propane-1-thiol is CCC(S)c1nnnn1C.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)propane-1-thiol?
The InChIKey is HDZAGZUQMZVDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c1-3-4(10)5-6-7-8-9(5)2/h4,10H,3H2,1-2H3.
What are the key properties of 1-(1-methyltetrazol-5-yl)propane-1-thiol?
1-(1-methyltetrazol-5-yl)propane-1-thiol has a molecular weight of 158.23 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltetrazol-5-yl)propane-1-thiol is sourced from PubChem (CID 57258761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).