trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium

C6H14N5S+ — CID 18341861

IUPACtrimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium
SMILESC[N+](C)(C)CCn1[nH]nnc1=S
InChIInChI=1S/C6H13N5S/c1-11(2,3)5-4-10-6(12)7-8-9-10/h4-5H2,1-3H3/p+1
InChIKeyRSLNACMVFSFAAM-UHFFFAOYSA-O
MW188.28 g/mol
LogP0.04
Rot. Bonds3

About trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium

trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium (PubChem CID 18341861) has the molecular formula C6H14N5S+ and a molecular weight of 188.28 g/mol. Its IUPAC name is trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium
PubChem CID18341861
Molecular FormulaC6H14N5S+
Molecular Weight188.28 g/mol
Exact Mass188.10
IUPAC Nametrimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium
SMILESC[N+](C)(C)CCn1[nH]nnc1=S
InChIInChI=1S/C6H13N5S/c1-11(2,3)5-4-10-6(12)7-8-9-10/h4-5H2,1-3H3/p+1
InChIKeyRSLNACMVFSFAAM-UHFFFAOYSA-O
XLogP0.04
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium?
The IUPAC name of trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium (CID 18341861) is trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium.
What is the SMILES notation for trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium?
The canonical SMILES for trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium is C[N+](C)(C)CCn1[nH]nnc1=S.
What is the InChIKey of trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium?
The InChIKey is RSLNACMVFSFAAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N5S/c1-11(2,3)5-4-10-6(12)7-8-9-10/h4-5H2,1-3H3/p+1.
What are the key properties of trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium?
trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium has a molecular weight of 188.28 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium is sourced from PubChem (CID 18341861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).