1-methyltetrazole-5-thiolate;tungsten

C2H3N4SW- — CID 170791029

IUPAC1-methyltetrazole-5-thiolate;tungsten
SMILESCn1nnnc1[S-].[W]
InChIInChI=1S/C2H4N4S.W/c1-6-2(7)3-4-5-6;/h1H3,(H,3,5,7);/p-1
InChIKeyATJLRGSNRRULQH-UHFFFAOYSA-M
MW298.98 g/mol
LogP-0.89
Rot. Bonds

About 1-methyltetrazole-5-thiolate;tungsten

1-methyltetrazole-5-thiolate;tungsten (PubChem CID 170791029) has the molecular formula C2H3N4SW- and a molecular weight of 298.98 g/mol. Its IUPAC name is 1-methyltetrazole-5-thiolate;tungsten.

Molecular Properties

Compound Name1-methyltetrazole-5-thiolate;tungsten
PubChem CID170791029
Molecular FormulaC2H3N4SW-
Molecular Weight298.98 g/mol
Exact Mass298.96
IUPAC Name1-methyltetrazole-5-thiolate;tungsten
SMILESCn1nnnc1[S-].[W]
InChIInChI=1S/C2H4N4S.W/c1-6-2(7)3-4-5-6;/h1H3,(H,3,5,7);/p-1
InChIKeyATJLRGSNRRULQH-UHFFFAOYSA-M
XLogP-0.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.98
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyltetrazole-5-thiolate;tungsten?
The IUPAC name of 1-methyltetrazole-5-thiolate;tungsten (CID 170791029) is 1-methyltetrazole-5-thiolate;tungsten.
What is the SMILES notation for 1-methyltetrazole-5-thiolate;tungsten?
The canonical SMILES for 1-methyltetrazole-5-thiolate;tungsten is Cn1nnnc1[S-].[W].
What is the InChIKey of 1-methyltetrazole-5-thiolate;tungsten?
The InChIKey is ATJLRGSNRRULQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4N4S.W/c1-6-2(7)3-4-5-6;/h1H3,(H,3,5,7);/p-1.
What are the key properties of 1-methyltetrazole-5-thiolate;tungsten?
1-methyltetrazole-5-thiolate;tungsten has a molecular weight of 298.98 g/mol, XLogP of -0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyltetrazole-5-thiolate;tungsten is sourced from PubChem (CID 170791029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).