1-(7-methyloctyl)-2H-tetrazole-5-thione

C10H20N4S — CID 107817074

IUPAC1-(7-methyloctyl)-2H-tetrazole-5-thione
SMILESCC(C)CCCCCCn1[nH]nnc1=S
InChIInChI=1S/C10H20N4S/c1-9(2)7-5-3-4-6-8-14-10(15)11-12-13-14/h9H,3-8H2,1-2H3,(H,11,13,15)
InChIKeyYLWDKSMBVQOJHE-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.94
Rot. Bonds7

About 1-(7-methyloctyl)-2H-tetrazole-5-thione

1-(7-methyloctyl)-2H-tetrazole-5-thione (PubChem CID 107817074) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(7-methyloctyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(7-methyloctyl)-2H-tetrazole-5-thione
PubChem CID107817074
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name1-(7-methyloctyl)-2H-tetrazole-5-thione
SMILESCC(C)CCCCCCn1[nH]nnc1=S
InChIInChI=1S/C10H20N4S/c1-9(2)7-5-3-4-6-8-14-10(15)11-12-13-14/h9H,3-8H2,1-2H3,(H,11,13,15)
InChIKeyYLWDKSMBVQOJHE-UHFFFAOYSA-N
XLogP2.94
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyloctyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(7-methyloctyl)-2H-tetrazole-5-thione (CID 107817074) is 1-(7-methyloctyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(7-methyloctyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(7-methyloctyl)-2H-tetrazole-5-thione is CC(C)CCCCCCn1[nH]nnc1=S.
What is the InChIKey of 1-(7-methyloctyl)-2H-tetrazole-5-thione?
The InChIKey is YLWDKSMBVQOJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-9(2)7-5-3-4-6-8-14-10(15)11-12-13-14/h9H,3-8H2,1-2H3,(H,11,13,15).
What are the key properties of 1-(7-methyloctyl)-2H-tetrazole-5-thione?
1-(7-methyloctyl)-2H-tetrazole-5-thione has a molecular weight of 228.36 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyloctyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 107817074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).