1-(1-methyltetrazol-5-yl)ethanethiol

C4H8N4S — CID 57071055

IUPAC1-(1-methyltetrazol-5-yl)ethanethiol
SMILESCC(S)c1nnnn1C
InChIInChI=1S/C4H8N4S/c1-3(9)4-5-6-7-8(4)2/h3,9H,1-2H3
InChIKeyHPVPYBCLVUENMF-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.20
Rot. Bonds1

About 1-(1-methyltetrazol-5-yl)ethanethiol

1-(1-methyltetrazol-5-yl)ethanethiol (PubChem CID 57071055) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)ethanethiol.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)ethanethiol
PubChem CID57071055
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name1-(1-methyltetrazol-5-yl)ethanethiol
SMILESCC(S)c1nnnn1C
InChIInChI=1S/C4H8N4S/c1-3(9)4-5-6-7-8(4)2/h3,9H,1-2H3
InChIKeyHPVPYBCLVUENMF-UHFFFAOYSA-N
XLogP0.20
TPSA43.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.20
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)ethanethiol?
The IUPAC name of 1-(1-methyltetrazol-5-yl)ethanethiol (CID 57071055) is 1-(1-methyltetrazol-5-yl)ethanethiol.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)ethanethiol?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)ethanethiol is CC(S)c1nnnn1C.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)ethanethiol?
The InChIKey is HPVPYBCLVUENMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c1-3(9)4-5-6-7-8(4)2/h3,9H,1-2H3.
What are the key properties of 1-(1-methyltetrazol-5-yl)ethanethiol?
1-(1-methyltetrazol-5-yl)ethanethiol has a molecular weight of 144.20 g/mol, XLogP of 0.20, 1 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)ethanethiol is sourced from PubChem (CID 57071055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).